methyl 2-[2-[[5-[3-(1H-indol-3-yl)propanoylamino]-3-methyl-pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-[[5-[3-(1H-indol-3-yl)propanoylamino]-3-methyl-pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[[5-[3-(1H-indol-3-yl)propanoylamino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[5-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methylpentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[[5-[3-(1H-indol-3-yl)propanoylamino]-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C36H46N4O4S MolecularWeight: 630.83984

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)CCC1=CNC2=CC=CC=C21)CCN(CC3=CC=CC4=CC=CC=C43)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(CCNC(=O)CCC1=CNC2=CC=CC=C21)CCN(CC3=CC=CC4=CC=CC=C43)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C36H46N4O4S/c1-26(17-20-37-34(41)16-15-28-23-38-32-14-7-6-13-31(28)32)18-21-40(24-29-11-8-10-27-9-4-5-12-30(27)29)25-35(42)39-33(19-22-45-3)36(43)44-2/h4-14,23,26,33,38H,15-22,24-25H2,1-3H3,(H,37,41)(H,39,42)