methyl 2-[[2-azanyl-3-(4-thiophen-3-ylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-azanyl-3-(4-thiophen-3-ylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-amino-3-[4-(3-thienyl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-amino-1-oxo-3-[4-(3-thiophenyl)phenyl]propyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-(4-thiophen-3-ylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-amino-3-[4-(3-thienyl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)C4=CSC=C4)N

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)C4=CSC=C4)N

InChI

InChI=1S/C25H25N3O3S/c1-31-25(30)23(13-19-14-27-22-5-3-2-4-20(19)22)28-24(29)21(26)12-16-6-8-17(9-7-16)18-10-11-32-15-18/h2-11,14-15,21,23,27H,12-13,26H2,1H3,(H,28,29)