4-methyl-2-[[2-[[2-[[2-[[2-[[4-methyl-2-[2-[[2-[(6-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-3-yl)carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2-[[2-[[2-[[2-[[4-methyl-2-[2-[[2-[(6-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-3-yl)carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoylamino]pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]pentanoic acid Openeye Name: 2-[[4-hydroxy-2-[[2-[[4-hydroxy-2-[[4-hydroxy-2-[[2-[2-[[4-hydroxy-2-[(6-methyl-5-oxo-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carbonyl)amino]-4-oxo-butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-hydroxy-2-[[2-[[4-hydroxy-2-[[4-hydroxy-2-[[2-[[2-[[4-hydroxy-2-[[(6-methyl-5-oxo-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazol-3-yl)-oxomethyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-hydroxy-2-[[2-[[4-hydroxy-2-[[4-hydroxy-2-[[2-[2-[[4-hydroxy-2-[(6-methyl-5-oxo-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carbonyl)amino]-4-oxobutanoyl]amino]propanoylamino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-hydroxy-2-[[2-[[4-hydroxy-2-[[4-hydroxy-2-[[2-[2-[[4-hydroxy-4-keto-2-[(5-keto-6-methyl-2,3,6,7-tetrahydro-1H-pyrazolo[1,2-a]pyrazole-3-carbonyl)amino]butanoyl]amino]propanoylamino]-4-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C48H68N10O19 MolecularWeight: 1089.10912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN2CCC(N2C1=O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1CN2CCC(N2C1=O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C48H68N10O19/c1-22(2)14-27(50-39(67)25(6)49-40(68)29(17-35(59)60)55-46(74)34-12-13-57-21-24(5)47(75)58(34)57)41(69)52-31(19-37(63)64)44(72)54-30(18-36(61)62)43(71)51-28(16-26-10-8-7-9-11-26)42(70)53-32(20-38(65)66)45(73)56-33(48(76)77)15-23(3)4/h7-11,22-25,27-34H,12-21H2,1-6H3,(H,49,68)(H,50,67)(H,51,71)(H,52,69)(H,53,70)(H,54,72)(H,55,74)(H,56,73)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,76,77)