2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanylidene-3-(1-phosphonoindol-3-yl)but-3-enoic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)amino]-4-oxidanylidene-3-(1-phosphonoindol-3-yl)but-3-enoic acid Openeye Name: 2-[(2-amino-4-methyl-pentanoyl)amino]-4-oxo-3-(1-phosphonoindol-3-yl)but-3-enoic acid CAS Name: 2-[(2-amino-4-methyl-1-oxopentyl)amino]-4-oxo-3-(1-phosphono-3-indolyl)-3-butenoic acid IUPAC Name: 2-[(2-amino-4-methylpentanoyl)amino]-4-oxo-3-(1-phosphonoindol-3-yl)but-3-enoic acid Traditional Name: 2-[(2-amino-4-methyl-pentanoyl)amino]-4-keto-3-(1-phosphonoindol-3-yl)but-3-enoic acid Formula: C18H22N3O7P MolecularWeight: 423.356941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(=C=O)C1=CN(C2=CC=CC=C21)P(=O)(O)O)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C(=C=O)C1=CN(C2=CC=CC=C21)P(=O)(O)O)C(=O)O)N

InChI

InChI=1S/C18H22N3O7P/c1-10(2)7-14(19)17(23)20-16(18(24)25)13(9-22)12-8-21(29(26,27)28)15-6-4-3-5-11(12)15/h3-6,8,10,14,16H,7,19H2,1-2H3,(H,20,23)(H,24,25)(H2,26,27,28)