methyl 2-[2-[[(3S)-1-(1H-imidazol-5-ylcarbonylamino)-3-methyl-pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-[[(3S)-1-(1H-imidazol-5-ylcarbonylamino)-3-methyl-pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[(3S)-1-[[1H-imidazol-5-yl(oxo)methyl]amino]-3-methylpentyl]-(1-naphthalenylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C29H39N5O4S MolecularWeight: 553.71606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(NC(=O)C1=CN=CN1)N(CC2=CC=CC3=CC=CC=C32)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC[C@H](C)CC(NC(=O)C1=CN=CN1)N(CC2=CC=CC3=CC=CC=C32)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C29H39N5O4S/c1-5-20(2)15-26(33-28(36)25-16-30-19-31-25)34(17-22-11-8-10-21-9-6-7-12-23(21)22)18-27(35)32-24(13-14-39-4)29(37)38-3/h6-12,16,19-20,24,26H,5,13-15,17-18H2,1-4H3,(H,30,31)(H,32,35)(H,33,36)/t20-,24?,26?/m0/s1