(4S,5R)-4-azaniumyl-6-[[(2S,3R)-1-[[(2S)-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-oxidanylidene-5-sulfanyl-hexanoate

Systemtic Name: (4S,5R)-4-azaniumyl-6-[[(2S,3R)-1-[[(2S)-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-oxidanylidene-5-sulfanyl-hexanoate Openeye Name: (4S,5R)-4-azaniumyl-6-[[(1S,2R)-1-[[(1S)-1-carboxy-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-butyl]amino]-6-oxo-5-sulfanyl-hexanoate CAS Name: (4S,5R)-4-ammonio-6-[[(2S,3R)-1-[[(2S)-1,4-dihydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-mercapto-6-oxohexanoate IUPAC Name: (4S,5R)-4-azaniumyl-6-[[(2S,3R)-1-[[(2S)-1,4-dihydroxy-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-6-oxo-5-sulfanylhexanoate Traditional Name: (4S,5R)-4-ammonio-6-[[(1S,2R)-1-[[(1S)-1-carboxy-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-butyl]amino]-6-keto-5-mercapto-hexanoate Formula: C16H27N3O8S MolecularWeight: 421.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(C(CCC(=O)[O-])[NH3+])S

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@@H]([C@H](CCC(=O)[O-])[NH3+])S

InChI

InChI=1S/C16H27N3O8S/c1-3-7(2)12(14(24)18-9(16(26)27)6-11(22)23)19-15(25)13(28)8(17)4-5-10(20)21/h7-9,12-13,28H,3-6,17H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8+,9+,12+,13-/m1/s1