chempirical

Corticotropin

C207H308N56O58SCAS 9002-60-24541.13 g/mol

Open in Covalent MOL file
ONHOHOOHNOOHOHNOOHOHNHOONHONHOHOONHOHNONOHNONHOHOOHNOHOHNONHOOH2NNHONOHONHOHNONH2HNONHONONHNHH2NNHONHHNH2NNHOH2NNHONH2HNOHNONHONONH2HNONHONHHNOHNHNNH2NHOHNONHNHNOOHONHOSNHOOHHNOOHNHOOHNH2
AlcoholAmideCarboxylic acidGuanidinePhenolPrimary amineSulfide

Properties

Molecular formula
C207H308N56O58S
Molar mass
4541.13 g/mol
Exact mass
4538.2594 Da
logP
-15.16Crippen estimate
Polar surface area
1836.2 Ų
H-bond donors / acceptors
63 / 61
Rotatable bonds
145
Stereocentres
S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
9002-60-2
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)N
InChIKey
IDLFZVILOHSSID-OVLDLUHVSA-N
InChI
InChI=1S/C207H308N56O58S/c1-108(2)89-140(186(302)240-135(69-74-163(279)280)182(298)254-149(204(320)321)94-117-43-20-15-21-44-117)250-193(309)152-54-35-86-262(152)202(318)147(92-116-41-18-14-19-42-116)252-171(287)114(11)230-175(291)132(66-71-160(273)274)234-170(286)113(10)231-191(307)150(105-265)255-183(299)136(70-75-164(281)282)241-190(306)146(98-165(283)284)249-180(296)133(67-72-161(275)276)235-169(285)112(9)229-157(270)101-225-174(290)145(97-156(213)269)251-194(310)153-55-36-87-263(153)203(319)148(93-119-60-64-123(268)65-61-119)253-199(315)167(110(5)6)257-185(301)129(49-26-30-79-210)243-198(314)168(111(7)8)259-196(312)155-57-38-85-261(155)201(317)139(53-34-83-223-207(218)219)244-178(294)130(51-32-81-221-205(214)215)237-177(293)128(48-25-29-78-209)236-176(292)127(47-24-28-77-208)232-158(271)103-227-197(313)166(109(3)4)258-195(311)154-56-37-84-260(154)200(316)138(50-27-31-80-211)233-159(272)102-226-173(289)143(95-120-99-224-126-46-23-22-45-124(120)126)247-179(295)131(52-33-82-222-206(216)217)238-187(303)142(90-115-39-16-13-17-40-115)246-189(305)144(96-121-100-220-107-228-121)248-181(297)134(68-73-162(277)278)239-184(300)137(76-88-322-12)242-192(308)151(106-266)256-188(304)141(245-172(288)125(212)104-264)91-118-58-62-122(267)63-59-118/h13-23,39-46,58-65,99-100,107-114,125,127-155,166-168,224,264-268H,24-38,47-57,66-98,101-106,208-212H2,1-12H3,(H2,213,269)(H,220,228)(H,225,290)(H,226,289)(H,227,313)(H,229,270)(H,230,291)(H,231,307)(H,232,271)(H,233,272)(H,234,286)(H,235,285)(H,236,292)(H,237,293)(H,238,303)(H,239,300)(H,240,302)(H,241,306)(H,242,308)(H,243,314)(H,244,294)(H,245,288)(H,246,305)(H,247,295)(H,248,297)(H,249,296)(H,250,309)(H,251,310)(H,252,287)(H,253,315)(H,254,298)(H,255,299)(H,256,304)(H,257,301)(H,258,311)(H,259,312)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,320,321)(H4,214,215,221)(H4,216,217,222)(H4,218,219,223)/t112-,113-,114-,125-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,166-,167-,168-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

35 names · show all
  • Acethropan
  • Acorto
  • ACTH
  • Acton
  • Actonar
  • Adrenal cortex hormone
  • Adrenocorticotrophic hormone
  • Adrenocorticotrophin
  • Adrenomone
  • Cibacthen
  • Corstiline
  • Cortiphyson
  • Cortrophin
  • Reacthin
  • Solacthyl
  • Adrenocorticotropic hormone
  • Adrenocorticotropin
  • Corticotropin-like substances
  • Dynamone
  • Exacthin
  • Adrenotrophin
  • Corticotrophin
  • Duracton
  • ProActon
  • Humactid
  • Nuvacthen
  • Chorionic corticotropin
  • Acthormone
  • Adrenocorticotropin hormone
  • Acton (hormone)
  • Cortrophimn
  • Tubex
  • Acortan
  • Alfatrofin
  • Isactid

Work with Corticotropin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Seractide12279-41-3

Similar compounds

H-Met-glu-val-gly-trp-tyr-arg-ser-pro-phe-ser-arg-val-val-his-leu-tyr-arg-asn-gly-lys-oh149635-73-481 % similar Glucagon16941-32-579 % similar Cosyntropin16960-16-076 % similar Acth (1-17)7266-47-976 % similar Clip53917-42-375 % similar Charybdotoxin95751-30-774 % similar Teduglutide197922-42-274 % similar Mots-C1627580-64-672 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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