4-[[2-[[2-[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[[2-[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[3-methyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[[1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]-2-methyl-propyl]amino]-5-keto-valeric acid Formula: C44H68N10O14 MolecularWeight: 961.06932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CO)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CO)N

InChI

InChI=1S/C44H68N10O14/c1-20(2)15-30(40(63)49-29(13-14-33(57)58)38(61)54-34(21(3)4)42(65)48-24(8)44(67)68)51-43(66)35(22(5)6)53-36(59)23(7)47-39(62)31(16-25-17-46-28-12-10-9-11-26(25)28)50-41(64)32(19-56)52-37(60)27(45)18-55/h9-12,17,20-24,27,29-32,34-35,46,55-56H,13-16,18-19,45H2,1-8H3,(H,47,62)(H,48,65)(H,49,63)(H,50,64)(H,51,66)(H,52,60)(H,53,59)(H,54,61)(H,57,58)(H,67,68)