Peptide yy human

C194H295N55O57CAS 118997-30-14309.82 g/mol

Open in Covalent MOL file
OHNNH2ONOHNOOHONHONONHONHOHOONHOOHOHNONHOHONONHOOHONHOHOONHOHNOH2NONHNHNHH2NONHHOONHHOONHONHOHONHOHNNHNHH2NOHNNHNONHOHOHNONHOH2NOHNOHNONHOHOHNHNNHNH2ONHONH2ONHNHHNNH2ONHOHONH2NHONOOHNH2
AlcoholAmideCarboxylic acidGuanidinePhenolPrimary amine

Properties

Molecular formula
C194H295N55O57
Molar mass
4309.82 g/mol
Exact mass
4307.1876 Da
logP
-16.43Crippen estimate
Polar surface area
1832.4 Ų
H-bond donors / acceptors
63 / 59
Rotatable bonds
134
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, R, 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.

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Identifiers

CAS number
118997-30-1
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N
InChIKey
YNXLOPYTAAFMTN-SBUIBGKBSA-N
InChI
InChI=1S/C194H295N55O57/c1-17-99(12)154(244-183(299)143-36-25-73-247(143)188(304)115(196)80-104-37-47-110(253)48-38-104)185(301)228-125(28-18-19-67-195)189(305)248-74-26-34-141(248)181(297)225-122(59-64-149(264)265)159(275)218-102(15)187(303)246-72-24-33-140(246)180(296)214-90-147(261)219-120(58-63-148(262)263)164(280)240-137(88-152(270)271)169(285)217-101(14)158(274)242-139(92-251)190(306)249-75-27-35-142(249)182(298)226-124(61-66-151(268)269)166(282)224-123(60-65-150(266)267)167(283)230-128(77-95(4)5)171(287)238-135(86-145(198)259)176(292)222-117(30-21-69-211-192(203)204)162(278)234-132(83-107-43-53-113(256)54-44-107)174(290)235-131(82-106-41-51-112(255)52-42-106)168(284)216-100(13)157(273)241-138(91-250)179(295)233-127(76-94(2)3)170(286)221-118(31-22-70-212-193(205)206)163(279)237-134(85-109-89-209-93-215-109)175(291)236-133(84-108-45-55-114(257)56-46-108)173(289)231-129(78-96(6)7)172(288)239-136(87-146(199)260)177(293)232-130(79-97(8)9)178(294)243-153(98(10)11)184(300)245-155(103(16)252)186(302)227-119(32-23-71-213-194(207)208)160(276)223-121(57-62-144(197)258)165(281)220-116(29-20-68-210-191(201)202)161(277)229-126(156(200)272)81-105-39-49-111(254)50-40-105/h37-56,89,93-103,115-143,153-155,250-257H,17-36,57-88,90-92,195-196H2,1-16H3,(H2,197,258)(H2,198,259)(H2,199,260)(H2,200,272)(H,209,215)(H,214,296)(H,216,284)(H,217,285)(H,218,275)(H,219,261)(H,220,281)(H,221,286)(H,222,292)(H,223,276)(H,224,282)(H,225,297)(H,226,298)(H,227,302)(H,228,301)(H,229,277)(H,230,283)(H,231,289)(H,232,293)(H,233,295)(H,234,278)(H,235,290)(H,236,291)(H,237,279)(H,238,287)(H,239,288)(H,240,280)(H,241,273)(H,242,274)(H,243,294)(H,244,299)(H,245,300)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H4,201,202,210)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)/t99-,100-,101-,102-,103+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,153-,154-,155-/m0/s1

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Names and synonyms

1 names
  • Peptide yy, human

Work with Peptide yy human

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

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