(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[[1-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]imidazol-2-yl]amino]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[[1-[2-(2-hydroxyethylamino)-2-oxidanylidene-ethyl]imidazol-2-yl]amino]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[[1-[2-(2-hydroxyethylamino)-2-oxo-ethyl]imidazol-2-yl]amino]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[[1-[2-(2-hydroxyethylamino)-2-oxoethyl]-2-imidazolyl]amino]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[1-[2-(2-hydroxyethylamino)-2-oxoethyl]imidazol-2-yl]amino]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[[[1-[2-(2-hydroxyethylamino)-2-keto-ethyl]imidazol-2-yl]amino]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H27N7O8S MolecularWeight: 489.50338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=N1)NSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC(=O)NCCO

Isomeric SMILES

C1=CN(C(=N1)NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CC(=O)NCCO

InChI

InChI=1S/C17H27N7O8S/c18-10(16(31)32)1-2-12(26)22-11(15(30)21-7-14(28)29)9-33-23-17-20-3-5-24(17)8-13(27)19-4-6-25/h3,5,10-11,25H,1-2,4,6-9,18H2,(H,19,27)(H,20,23)(H,21,30)(H,22,26)(H,28,29)(H,31,32)/t10-,11-/m0/s1