(2S)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-N-[(3S)-7-azanyl-2-oxidanylidene-1-sulfanyl-heptan-3-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-N-[(3S)-7-azanyl-2-oxidanylidene-1-sulfanyl-heptan-3-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-N-[(1S)-5-amino-1-(2-sulfanylacetyl)pentyl]-4-methyl-pentanamide CAS Name: (2S)-N-[(3S)-7-amino-1-mercapto-2-oxoheptan-3-yl]-2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-4-methylpentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-[(3S)-7-amino-2-oxo-1-sulfanylheptan-3-yl]-4-methylpentanamide Traditional Name: (2S)-N-[(1S)-5-amino-1-(2-mercaptoacetyl)pentyl]-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-4-methyl-valeramide Formula: C18H36N4O3S MolecularWeight: 388.56844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCCN)C(=O)CS)NC(=O)C(C(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C18H36N4O3S/c1-11(2)9-14(22-18(25)16(20)12(3)4)17(24)21-13(15(23)10-26)7-5-6-8-19/h11-14,16,26H,5-10,19-20H2,1-4H3,(H,21,24)(H,22,25)/t13-,14-,16+/m0/s1