deltibant (Q27263291)

CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSC2CC(=O)N(C2=O)CCCCCCN3C(=O)CC(C3=O)SCC(C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)O)NC(=O)C(CC8=CC=CC=C8)NC(=O)CNC(=O)C9CC(CN9C(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N)O

1 reference

stated in

PubChem

PubChem CID

70697628

language of work or name

English

title

Deltibant (English)

retrieved

20 November 2016

Identifiers

InChI

InChI=1S/C128H194N40O28S2/c1-71(2)55-85(105(177)155-83(121(193)194)41-25-49-147-127(139)140)157-109(181)89(59-75-33-15-9-16-34-75)159-111(183)91(161-107(179)87(57-73-29-11-7-12-30-73)151-99(171)65-149-113(185)95-61-77(169)67-167(95)117(189)93-43-27-53-163(93)115(187)81(39-23-47-145-125(135)136)153-103(175)79(129)37-21-45-143-123(131)132)69-197-97-63-101(173)165(119(97)191)51-19-5-6-20-52-166-102(174)64-98(120(166)192)198-70-92(112(184)160-90(60-76-35-17-10-18-36-76)110(182)158-86(56-72(3)4)106(178)156-84(122(195)196)42-26-50-148-128(141)142)162-108(180)88(58-74-31-13-8-14-32-74)152-100(172)66-150-114(186)96-62-78(170)68-168(96)118(190)94-44-28-54-164(94)116(188)82(40-24-48-146-126(137)138)154-104(176)80(130)38-22-46-144-124(133)134/h7-18,29-36,71-72,77-98,169-170H,5-6,19-28,37-70,129-130H2,1-4H3,(H,149,185)(H,150,186)(H,151,171)(H,152,172)(H,153,175)(H,154,176)(H,155,177)(H,156,178)(H,157,181)(H,158,182)(H,159,183)(H,160,184)(H,161,179)(H,162,180)(H,193,194)(H,195,196)(H4,131,132,143)(H4,133,134,144)(H4,135,136,145)(H4,137,138,146)(H4,139,140,147)(H4,141,142,148)

1 reference

based on heuristic

inferred from SMILES

InChIKey

JKUYFMHGTOPVMR-WQVVEKGHSA-N

1 reference

language of work or name

Deltibant (English)

20 November 2016

0 references

1 reference

language of work or name

English

title

(6S,9R,12R,15S,18S)-9-({[(3R)-1-{6-[(3S)-3-{[(2R,5R,8S,11S)-16-Amino-2-{[(2S)-2-{[({[(2S,4R)-1-({(2S)-1-[(2S)-2-{[(2R)-2-amino-5-carbamimidamidopentanoyl]amino}-5-carbamimidamidopentanoyl]-2-pyrrolidi (English)

20 November 2016

2 references

language of work or name

English

title