(2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-azanyl-6-oxidanyl-6-oxidanylidene-2-sulfanyl-hexanoyl]amino]-3-methyl-pentanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-azanyl-6-oxidanyl-6-oxidanylidene-2-sulfanyl-hexanoyl]amino]-3-methyl-pentanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-amino-6-hydroxy-6-oxo-2-sulfanyl-hexanoyl]amino]-3-methyl-pentanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-amino-6-hydroxy-2-mercapto-1,6-dioxohexyl]amino]-3-methyl-1-oxopentyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-amino-6-hydroxy-6-oxo-2-sulfanylhexanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2R,3S)-3-amino-6-hydroxy-6-keto-2-mercapto-hexanoyl]amino]-3-methyl-pentanoyl]amino]succinic acid 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)N)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)N)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