chempirical

Acth (1-17)

C95H145N29O23SCAS 7266-47-92093.45 g/mol

Open in Covalent MOL file
ONHOHNNH2ONHNH2ONHHNNHH2NOOHNHONONH2NHONHONHNHONHNHH2NNHONHONHNNHOOHONHOSNHOOHHNOOHHNOOHNH2
AlcoholAmideCarboxylic acidGuanidinePhenolPrimary amineSulfide

Properties

Molecular formula
C95H145N29O23S
Molar mass
2093.45 g/mol
Exact mass
2092.0789 Da
logP
-7.02Crippen estimate
Polar surface area
864.5 Ų
H-bond donors / acceptors
32 / 29
Rotatable bonds
69
Stereocentres
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
7266-47-9
SMILES
CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)N
InChIKey
MXNMAFWEFLFAJN-QBQLSIIBSA-N
InChI
InChI=1S/C95H145N29O23S/c1-53(2)78(91(144)109-49-75(128)111-62(22-9-12-35-96)81(134)113-63(23-10-13-36-97)82(135)117-68(93(146)147)26-16-39-106-95(102)103)123-90(143)74-27-17-40-124(74)92(145)67(24-11-14-37-98)112-76(129)48-108-80(133)71(44-56-46-107-61-21-8-7-20-59(56)61)120-83(136)64(25-15-38-105-94(100)101)114-86(139)70(42-54-18-5-4-6-19-54)119-88(141)72(45-57-47-104-52-110-57)121-84(137)65(32-33-77(130)131)115-85(138)66(34-41-148-3)116-89(142)73(51-126)122-87(140)69(118-79(132)60(99)50-125)43-55-28-30-58(127)31-29-55/h4-8,18-21,28-31,46-47,52-53,60,62-74,78,107,125-127H,9-17,22-27,32-45,48-51,96-99H2,1-3H3,(H,104,110)(H,108,133)(H,109,144)(H,111,128)(H,112,129)(H,113,134)(H,114,139)(H,115,138)(H,116,142)(H,117,135)(H,118,132)(H,119,141)(H,120,136)(H,121,137)(H,122,140)(H,123,143)(H,130,131)(H,146,147)(H4,100,101,105)(H4,102,103,106)/t60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,78-/m0/s1

Weigh it out

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

Work with Acth (1-17)

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

Similar compounds

Cosyntropin16960-16-096 % similar H-Met-glu-val-gly-trp-tyr-arg-ser-pro-phe-ser-arg-val-val-his-leu-tyr-arg-asn-gly-lys-oh149635-73-488 % similar Alpha-msh581-05-585 % similar Seractide12279-41-385 % similar Corticotropin9002-60-276 % similar Mots-C1627580-64-672 % similar Bnp-32 (human)124584-08-368 % similar Lixisenatide320367-13-365 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook