(2S,3S)-2-[[(2S,3S)-2-[[(2R,3R)-4-ethoxy-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2S,3S)-2-[[(2R,3R)-4-ethoxy-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-4-oxo-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-2-mercapto-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-4-oxo-2-sulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-4-keto-2-mercapto-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-valeric acid Formula: C18H32N2O7S MolecularWeight: 420.52088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(C(C(=O)OCC)O)S

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O7S/c1-6-9(4)11(15(22)20-12(17(24)25)10(5)7-2)19-16(23)14(28)13(21)18(26)27-8-3/h9-14,21,28H,6-8H2,1-5H3,(H,19,23)(H,20,22)(H,24,25)/t9-,10-,11-,12-,13-,14+/m0/s1