3-[[2-[[4-azanyl-2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[[4-azanyl-2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(1-carboxy-2-hydroxy-propyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[4-amino-2-[[2-[[2-[[2-[(2-amino-3-hydroxy-butanoyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[(1-carboxy-2-hydroxy-propyl)amino]-4-keto-butyric acid Formula: C40H57N11O16 MolecularWeight: 947.94468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)O)N

InChI

InChI=1S/C40H57N11O16/c1-17(2)31(50-36(62)22(10-20-8-6-5-7-9-20)48-38(64)30(42)18(3)52)39(65)49-25(13-28(55)56)35(61)46-24(12-27(41)54)34(60)45-23(11-21-15-43-16-44-21)33(59)47-26(14-29(57)58)37(63)51-32(19(4)53)40(66)67/h5-9,15-19,22-26,30-32,52-53H,10-14,42H2,1-4H3,(H2,41,54)(H,43,44)(H,45,60)(H,46,61)(H,47,59)(H,48,64)(H,49,65)(H,50,62)(H,51,63)(H,55,56)(H,57,58)(H,66,67)