methyl 2-[[5-azanyl-2-(ethanoylsulfanylmethyl)pentanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[5-azanyl-2-(ethanoylsulfanylmethyl)pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(acetylsulfanylmethyl)-5-amino-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-5-amino-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(acetylsulfanylmethyl)-5-aminopentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-5-amino-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC(=O)SCC(CCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-13(24)28-12-14(6-5-9-21)19(25)23-18(20(26)27-2)10-15-11-22-17-8-4-3-7-16(15)17/h3-4,7-8,11,14,18,22H,5-6,9-10,12,21H2,1-2H3,(H,23,25)