(3S)-3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-(heptan-2-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-(heptan-2-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-(1-methylhexylamino)-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-(heptan-2-ylamino)-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-(heptan-2-ylamino)-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-4-keto-4-(1-methylhexylamino)butyric acid Formula: C16H31N3O4S MolecularWeight: 361.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)N

Isomeric SMILES

CCCCCC(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C16H31N3O4S/c1-4-5-6-7-11(2)18-16(23)13(10-14(20)21)19-15(22)12(17)8-9-24-3/h11-13H,4-10,17H2,1-3H3,(H,18,23)(H,19,22)(H,20,21)/t11?,12-,13-/m0/s1