2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-(1H-indol-3-yl)-2-(phenylalanylamino)propanoyl]amino]-4-methyl-valeric acid Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C26H32N4O4/c1-16(2)12-23(26(33)34)30-25(32)22(14-18-15-28-21-11-7-6-10-19(18)21)29-24(31)20(27)13-17-8-4-3-5-9-17/h3-11,15-16,20,22-23,28H,12-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)