propan-2-yl 4-[[(2S)-6-azanyl-1-(methylamino)-1-oxidanylidene-hexan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate hydrochloride

Systemtic Name: propan-2-yl 4-[[(2S)-6-azanyl-1-(methylamino)-1-oxidanylidene-hexan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate hydrochloride Openeye Name: isopropyl 4-[[(1S)-5-amino-1-(methylcarbamoyl)pentyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate hydrochloride CAS Name: 4-[[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]amino]-oxomethyl]-3-mercapto-6-methylheptanoic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 4-[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]carbamoyl]-6-methyl-3-sulfanylheptanoate hydrochloride Traditional Name: 4-[[(1S)-5-amino-1-(methylcarbamoyl)pentyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid isopropyl ester hydrochloride Formula: C19H38ClN3O4S MolecularWeight: 440.04072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)OC(C)C)S)C(=O)NC(CCCCN)C(=O)NC.Cl

Isomeric SMILES

CC(C)CC(C(CC(=O)OC(C)C)S)C(=O)N[C@@H](CCCCN)C(=O)NC.Cl

InChI

InChI=1S/C19H37N3O4S.ClH/c1-12(2)10-14(16(27)11-17(23)26-13(3)4)18(24)22-15(19(25)21-5)8-6-7-9-20;/h12-16,27H,6-11,20H2,1-5H3,(H,21,25)(H,22,24);1H/t14?,15-,16?;/m0./s1