(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]-methyl-amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-6-azanyl-hexanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-azanyl-4-oxidanylidene-butanoyl]-methyl-amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-6-azanyl-hexanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-amino-4-oxo-butanoyl]-methyl-amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-6-amino-hexanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-amino-1,4-dioxobutyl]-methylamino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-6-amino-1-oxohexyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]-methylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-amino-4-keto-butanoyl]-methyl-amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-6-amino-hexanoyl]amino]-3-methyl-valeric acid Formula: C42H65N11O10 MolecularWeight: 884.0332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)N(C)C(=O)C(CC(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C(C(C)C)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)C

InChI

InChI=1S/C42H65N11O10/c1-8-24(4)35(42(62)63)52-37(57)29(16-12-13-17-43)48-38(58)30(18-27-14-10-9-11-15-27)49-36(56)25(5)53(7)41(61)32(20-33(44)55)51-39(59)31(19-28-21-45-22-46-28)50-40(60)34(23(2)3)47-26(6)54/h9-11,14-15,21-25,29-32,34-35H,8,12-13,16-20,43H2,1-7H3,(H2,44,55)(H,45,46)(H,47,54)(H,48,58)(H,49,56)(H,50,60)(H,51,59)(H,52,57)(H,62,63)/t24-,25-,29-,30-,31-,32-,34-,35-/m0/s1