(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-5-sulfanyl-pentanoic acid

Systemtic Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxidanylidene-5-sulfanyl-pentanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-oxo-5-sulfanyl-pentanoic acid CAS Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-5-mercapto-4-oxopentanoic acid IUPAC Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxo-5-sulfanylpentanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-keto-5-mercapto-valeric acid Formula: C17H28N4O8S MolecularWeight: 448.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CS)NC(=O)C(CC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O8S/c1-7(2)14(21-16(28)9(18)4-12(23)24)17(29)19-8(3)15(27)20-10(5-13(25)26)11(22)6-30/h7-10,14,30H,4-6,18H2,1-3H3,(H,19,29)(H,20,27)(H,21,28)(H,23,24)(H,25,26)/t8-,9-,10-,14-/m0/s1