(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanamide IUPAC Name: (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[[(2S)-2-(glycylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyramide Formula: C16H24N4O3S MolecularWeight: 352.45176

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN

Isomeric SMILES

CSCC[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN

InChI

InChI=1S/C16H24N4O3S/c1-24-8-7-12(15(18)22)20-16(23)13(19-14(21)10-17)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H2,18,22)(H,19,21)(H,20,23)/t12-,13-/m0/s1