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

Systemtic Name: 2-[2-[[(3S)-1-(1H-imidazol-5-ylcarbonylamino)-3-methyl-pentyl]-(naphthalen-1-ylmethyl)amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-methylsulfanyl-butanoic acid 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 IUPAC Name: 2-[[2-[[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methylpentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[(3S)-1-(1H-imidazole-5-carbonylamino)-3-methyl-pentyl]-(1-naphthylmethyl)amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C28H37N5O4S MolecularWeight: 539.68948

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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)O

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)O

InChI

InChI=1S/C28H37N5O4S/c1-4-19(2)14-25(32-27(35)24-15-29-18-30-24)33(17-26(34)31-23(28(36)37)12-13-38-3)16-21-10-7-9-20-8-5-6-11-22(20)21/h5-11,15,18-19,23,25H,4,12-14,16-17H2,1-3H3,(H,29,30)(H,31,34)(H,32,35)(H,36,37)/t19-,23?,25?/m0/s1