(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carbamoyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S)-1-carboxyethyl]carbamoyl]butanoic acid

Molecular Formula: C47H74N14O13S


InChI: InChI=1/C47H74N14O13S/c1-23(2)20-34(61-43(70)31(12-9-18-52-47(50)51)57-38(65)24(3)54-42(69)33(17-19-75-6)58-40(67)29(48)13-15-36(49)62)44(71)55-25(4)39(66)60-35(21-27-22-53-30-11-8-7-10-28(27)30)45(72)59-32(14-16-37(63)64)41(68)56-26(5)46(73)74/h7-8,10-11,22-26,29,31-35,53H,9,12-21,48H2,1-6H3,(H2,49,62)(H,54,69)(H,55,71)(H,56,68)(H,57,65)(H,58,67)(H,59,72)(H,60,66)(H,61,70)(H,63,64)(H,73,74)(H4,50,51,52)/t24-,25-,26-,29-,31-,32-,33-,34-,35-/m0/s1/f/h54-61,63,73H,49-51H2

InChIKey: InChIKey=ANSGQVBOYOXOHV-NOFHXJONDC
SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(=O)N)N

Names:
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carbamoyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[[(1S)-1-carboxyethyl]carbamoyl]butanoic acid

Registries:
    PubChem CID 10285082
    PubChem ID 15289982