methyl 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoate Traditional Name: 3-hydroxy-2-[[3-(1H-indol-3-yl)-2-(phenylalanylamino)propanoyl]amino]propionic acid methyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O5/c1-33-24(32)21(14-29)28-23(31)20(12-16-13-26-19-10-6-5-9-17(16)19)27-22(30)18(25)11-15-7-3-2-4-8-15/h2-10,13,18,20-21,26,29H,11-12,14,25H2,1H3,(H,27,30)(H,28,31)