methyl 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonyl-amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonyl-amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-benzyloxycarbonyl-amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-carbobenzoxy-amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C(=O)C(CC3=CN=CN3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C(=O)C(CC3=CN=CN3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O5/c1-35-25(33)23(11-18-13-29-22-10-6-5-9-20(18)22)31(24(32)21(27)12-19-14-28-16-30-19)26(34)36-15-17-7-3-2-4-8-17/h2-10,13-14,16,21,23,29H,11-12,15,27H2,1H3,(H,28,30)