3-azanyl-4-[1-(2-azanyl-3-phenyl-propanoyl)-3-(2-formamido-3-oxidanyl-3-oxidanylidene-propyl)-4-methyl-indol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[1-(2-azanyl-3-phenyl-propanoyl)-3-(2-formamido-3-oxidanyl-3-oxidanylidene-propyl)-4-methyl-indol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[1-(2-amino-3-phenyl-propanoyl)-3-(2-formamido-3-hydroxy-3-oxo-propyl)-4-methyl-indol-2-yl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[1-(2-amino-1-oxo-3-phenylpropyl)-3-(2-formamido-3-hydroxy-3-oxopropyl)-4-methyl-2-indolyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[1-(2-amino-3-phenylpropanoyl)-3-(2-formamido-3-hydroxy-3-oxopropyl)-4-methylindol-2-yl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[3-(2-formamido-3-hydroxy-3-keto-propyl)-4-methyl-1-phenylalanyl-indol-2-yl]-4-keto-butyric acid Formula: C26H28N4O7 MolecularWeight: 508.52312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2CC(C(=O)O)NC=O)C(=O)C(CC(=O)O)N)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2CC(C(=O)O)NC=O)C(=O)C(CC(=O)O)N)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C26H28N4O7/c1-14-6-5-9-20-22(14)16(11-19(26(36)37)29-13-31)23(24(34)17(27)12-21(32)33)30(20)25(35)18(28)10-15-7-3-2-4-8-15/h2-9,13,17-19H,10-12,27-28H2,1H3,(H,29,31)(H,32,33)(H,36,37)