(phenylmethyl) 2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (phenylmethyl) 2-[[2-azanyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: benzyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-(methylthio)butyric acid benzyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)N

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C23H27N3O3S/c1-30-12-11-21(23(28)29-15-16-7-3-2-4-8-16)26-22(27)19(24)13-17-14-25-20-10-6-5-9-18(17)20/h2-10,14,19,21,25H,11-13,15,24H2,1H3,(H,26,27)