(3S)-3-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]pentyl]carbamoyl]-3-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-carbamoyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]propanoic acid

Molecular Formula: C51H77N13O15S


InChI: InChI=1/C51H77N13O15S/c1-27(2)20-35(48(76)60-33(44(55)72)17-19-80-4)58-40(68)25-56-46(74)36(22-30-13-15-31(66)16-14-30)62-49(77)37(21-29-10-6-5-7-11-29)63-47(75)34(12-8-9-18-52)61-50(78)38(24-42(70)71)59-41(69)26-57-51(79)43(28(3)65)64-45(73)32(53)23-39(54)67/h5-7,10-11,13-16,27-28,32-38,43,65-66H,8-9,12,17-26,52-53H2,1-4H3,(H2,54,67)(H2,55,72)(H,56,74)(H,57,79)(H,58,68)(H,59,69)(H,60,76)(H,61,78)(H,62,77)(H,63,75)(H,64,73)(H,70,71)/t28-,32+,33+,34+,35+,36+,37+,38+,43+/m1/s1/f/h56-64,70H,54-55H2

InChIKey: InChIKey=PTYGRHMEBKSLJX-PVTCSAJFDV
SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC(=O)N)N

Names:
    (3S)-3-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]pentyl]carbamoyl]-3-[[2-[[(2S,3R)-2-[[(2S)-2-amino-3-carbamoyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]propanoic acid

Registries:
    PubChem CID 132956
    PubChem ID 10243242