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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(NC(=O)CC1=CN=CN1)N(CC2=CC=CC=C2)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC[C@H](C)CC(NC(=O)CC1=CN=CN1)N(CC2=CC=CC=C2)CC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H37N5O4S/c1-4-18(2)12-22(29-23(31)13-20-14-26-17-27-20)30(15-19-8-6-5-7-9-19)16-24(32)28-21(25(33)34)10-11-35-3/h5-9,14,17-18,21-22H,4,10-13,15-16H2,1-3H3,(H,26,27)(H,28,32)(H,29,31)(H,33,34)/t18-,21?,22?/m0/s1