(4-phenylphenyl)methyl 2-(7-azanylheptanoylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-phenylphenyl)methyl 2-(7-azanylheptanoylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: (4-phenylphenyl)methyl 2-(7-aminoheptanoylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[(7-amino-1-oxoheptyl)amino]-3-(1H-indol-3-yl)propanoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 2-(7-aminoheptanoylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(7-aminoheptanoylamino)-3-(1H-indol-3-yl)propionic acid (4-phenylbenzyl) ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CCCCCCN

InChI

InChI=1S/C31H35N3O3/c32-19-9-2-1-6-14-30(35)34-29(20-26-21-33-28-13-8-7-12-27(26)28)31(36)37-22-23-15-17-25(18-16-23)24-10-4-3-5-11-24/h3-5,7-8,10-13,15-18,21,29,33H,1-2,6,9,14,19-20,22,32H2,(H,34,35)