2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]2,5-dihydropyrrole-2-carbonyl]amino]-N-[3-carbamoyl-1-[[1-[[1-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-phenyl-ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]propyl]pentanediamide
Molecular Formula:
C63H94N18O13S
InChI: InChI=1/C63H94N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,13-18,21-22,37,40-49H,10-12,19-20,23-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/f/h72-79H,66-70H2
InChIKey: InChIKey=IZMAQANHSVBAOA-JOHHNARUCX
SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3C=CCN3C(=O)C(CCCCN)NC(=O)C4C=CCN4C(=O)C(CCCN=C(N)N)N
Names:
2-[[1-[6-amino-2-[[1-[2-amino-5-(diaminomethylideneamino)pentanoyl]2,5-dihydropyrrole-2-carbonyl]amino]hexanoyl]2,5-dihydropyrrole-2-carbonyl]amino]-N-[3-carbamoyl-1-[[1-[[1-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-phenyl-ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]propyl]pentanediamide
Registries:
PubChem CID 4100817
PubChem ID 6023017
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