4-[[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]methylamino]-2-methylsulfonyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]methylamino]-2-methylsulfonyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[[(2S)-2-amino-3-phenyl-propanoyl]amino]methylamino]-2-methylsulfonyl-4-oxo-butanoic acid CAS Name: 4-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methylamino]-2-methylsulfonyl-4-oxobutanoic acid IUPAC Name: 4-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methylamino]-2-methylsulfonyl-4-oxobutanoic acid Traditional Name: 4-[[[(2S)-2-amino-3-phenyl-propanoyl]amino]methylamino]-4-keto-2-mesyl-butyric acid Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(CC(=O)NCNC(=O)C(CC1=CC=CC=C1)N)C(=O)O

Isomeric SMILES

CS(=O)(=O)C(CC(=O)NCNC(=O)[C@H](CC1=CC=CC=C1)N)C(=O)O

InChI

InChI=1S/C15H21N3O6S/c1-25(23,24)12(15(21)22)8-13(19)17-9-18-14(20)11(16)7-10-5-3-2-4-6-10/h2-6,11-12H,7-9,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)/t11-,12?/m0/s1