2-[2-[[2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]butanedioic acid

Systemtic Name: 2-[2-[[2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]propanoylamino]succinic acid Formula: C28H40N6O12 MolecularWeight: 652.6502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CO)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C28H40N6O12/c1-13(2)22(34-24(41)16(29)10-20(36)37)27(44)33-19(12-35)26(43)31-17(9-15-7-5-4-6-8-15)25(42)30-14(3)23(40)32-18(28(45)46)11-21(38)39/h4-8,13-14,16-19,22,35H,9-12,29H2,1-3H3,(H,30,42)(H,31,43)(H,32,40)(H,33,44)(H,34,41)(H,36,37)(H,38,39)(H,45,46)