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

Systemtic Name: methyl 2-[2-[[(3S)-1-(1H-imidazol-5-ylcarbonylamino)-3-methyl-pentyl]-(phenylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[benzyl-[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methyl-pentyl]amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[(3S)-1-[[1H-imidazol-5-yl(oxo)methyl]amino]-3-methylpentyl]-(phenylmethyl)amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[benzyl-[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methylpentyl]amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[benzyl-[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methyl-pentyl]amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H37N5O4S MolecularWeight: 503.65738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(NC(=O)C1=CN=CN1)N(CC2=CC=CC=C2)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC[C@H](C)CC(NC(=O)C1=CN=CN1)N(CC2=CC=CC=C2)CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C25H37N5O4S/c1-5-18(2)13-22(29-24(32)21-14-26-17-27-21)30(15-19-9-7-6-8-10-19)16-23(31)28-20(11-12-35-4)25(33)34-3/h6-10,14,17-18,20,22H,5,11-13,15-16H2,1-4H3,(H,26,27)(H,28,31)(H,29,32)/t18-,20?,22?/m0/s1