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

Systemtic Name: 3-azanyl-4-[3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-1-(2-azanyl-3-phenyl-propanoyl)-4-methyl-indol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxo-propyl)-1-(2-amino-3-phenyl-propanoyl)-4-methyl-indol-2-yl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-1-(2-amino-1-oxo-3-phenylpropyl)-4-methyl-2-indolyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-oxopropyl)-1-(2-amino-3-phenylpropanoyl)-4-methylindol-2-yl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[3-(2-amino-3-hydroxy-3-keto-propyl)-4-methyl-1-phenylalanyl-indol-2-yl]-4-keto-butyric acid Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H28N4O6/c1-13-6-5-9-19-21(13)15(11-18(28)25(34)35)22(23(32)16(26)12-20(30)31)29(19)24(33)17(27)10-14-7-3-2-4-8-14/h2-9,16-18H,10-12,26-28H2,1H3,(H,30,31)(H,34,35)