4-[[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]methylamino]-2-methylsulfonyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]methylamino]-2-methylsulfonyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]methylamino]-2-methylsulfonyl-4-oxo-butanoic acid CAS Name: 4-[[[(2R,3S)-2-amino-3-methyl-1-oxopentyl]amino]methylamino]-2-methylsulfonyl-4-oxobutanoic acid IUPAC Name: 4-[[[(2R,3S)-2-amino-3-methylpentanoyl]amino]methylamino]-2-methylsulfonyl-4-oxobutanoic acid Traditional Name: 4-[[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]methylamino]-4-keto-2-mesyl-butyric acid Formula: C12H23N3O6S MolecularWeight: 337.39252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCNC(=O)CC(C(=O)O)S(=O)(=O)C)N

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)NCNC(=O)CC(C(=O)O)S(=O)(=O)C)N

InChI

InChI=1S/C12H23N3O6S/c1-4-7(2)10(13)11(17)15-6-14-9(16)5-8(12(18)19)22(3,20)21/h7-8,10H,4-6,13H2,1-3H3,(H,14,16)(H,15,17)(H,18,19)/t7-,8?,10+/m0/s1