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

Systemtic Name: propan-2-yl 4-[[(2S)-6-azanyl-1-(methylamino)-1-oxidanylidene-hexan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate Openeye Name: isopropyl 4-[[(1S)-5-amino-1-(methylcarbamoyl)pentyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoate CAS Name: 4-[[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]amino]-oxomethyl]-3-mercapto-6-methylheptanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]carbamoyl]-6-methyl-3-sulfanylheptanoate Traditional Name: 4-[[(1S)-5-amino-1-(methylcarbamoyl)pentyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid isopropyl ester Formula: C19H37N3O4S MolecularWeight: 403.57978

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H37N3O4S/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)/t14?,15-,16?/m0/s1