(2S)-2-[(2R,3S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3-(methylsulfonylamino)pyrrolidin-2-yl]butanoic acid

Systemtic Name: (2S)-2-[(2R,3S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-3-(methylsulfonylamino)pyrrolidin-2-yl]butanoic acid Openeye Name: (2S)-2-[(2R,3S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-3-(methanesulfonamido)pyrrolidin-2-yl]butanoic acid CAS Name: (2S)-2-[(2R,3S)-3-(methanesulfonamido)-1-[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]butanoic acid IUPAC Name: (2S)-2-[(2R,3S)-3-(methanesulfonamido)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]butanoic acid Traditional Name: (2S)-2-[(2R,3S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-3-(methanesulfonamido)pyrrolidin-2-yl]butyric acid Formula: C19H35N3O7S MolecularWeight: 449.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(CCN1C(=O)C(C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC[C@@H]([C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C19H35N3O7S/c1-8-12(17(24)25)15-13(21-30(7,27)28)9-10-22(15)16(23)14(11(2)3)20-18(26)29-19(4,5)6/h11-15,21H,8-10H2,1-7H3,(H,20,26)(H,24,25)/t12-,13-,14-,15+/m0/s1