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

Systemtic Name: 2-[2-[cyclopropylmethyl-[5-[2-(1H-imidazol-5-yl)ethanoylamino]-3-methyl-pentyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[cyclopropylmethyl-[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methyl-pentyl]amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[cyclopropylmethyl-[5-[[2-(1H-imidazol-5-yl)-1-oxoethyl]amino]-3-methylpentyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[cyclopropylmethyl-[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methylpentyl]amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[cyclopropylmethyl-[5-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-methyl-pentyl]amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C22H37N5O4S MolecularWeight: 467.62528

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)CC1=CN=CN1)CCN(CC2CC2)CC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(CCNC(=O)CC1=CN=CN1)CCN(CC2CC2)CC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C22H37N5O4S/c1-16(5-8-24-20(28)11-18-12-23-15-25-18)6-9-27(13-17-3-4-17)14-21(29)26-19(22(30)31)7-10-32-2/h12,15-17,19H,3-11,13-14H2,1-2H3,(H,23,25)(H,24,28)(H,26,29)(H,30,31)