2-[2-[carboxymethyl-[2-oxidanylidene-2-[[(E)-2-sulfanylethenyl]amino]ethyl]amino]ethyl-[2-[carboxymethyl-[2-oxidanylidene-2-(2-sulfanylethylideneamino)ethyl]amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[2-[carboxymethyl-[2-oxidanylidene-2-[[(E)-2-sulfanylethenyl]amino]ethyl]amino]ethyl-[2-[carboxymethyl-[2-oxidanylidene-2-(2-sulfanylethylideneamino)ethyl]amino]ethyl]amino]ethanoic acid Openeye Name: 2-[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylideneamino)ethyl]amino]ethyl-[2-[carboxymethyl-[2-oxo-2-[[(E)-2-sulfanylvinyl]amino]ethyl]amino]ethyl]amino]acetic acid CAS Name: 2-[2-[carboxymethyl-[2-[[(E)-2-mercaptoethenyl]amino]-2-oxoethyl]amino]ethyl-[2-[carboxymethyl-[2-(2-mercaptoethylideneamino)-2-oxoethyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[2-[carboxymethyl-[2-oxo-2-[[(E)-2-sulfanylethenyl]amino]ethyl]amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(2-sulfanylethylideneamino)ethyl]amino]ethyl]amino]acetic acid Traditional Name: 2-[2-[carboxymethyl-[2-keto-2-(2-mercaptoethylideneamino)ethyl]amino]ethyl-[2-[carboxymethyl-[2-keto-2-[[(E)-2-mercaptovinyl]amino]ethyl]amino]ethyl]amino]acetic acid Formula: C18H29N5O8S2 MolecularWeight: 507.58156

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CC(=O)NC=CS)CC(=O)O)N(CCN(CC(=O)N=CCS)CC(=O)O)CC(=O)O

Isomeric SMILES

C(CN(CC(=O)N/C=C/S)CC(=O)O)N(CCN(CC(=O)N=CCS)CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H29N5O8S2/c24-14(19-1-7-32)9-22(12-17(28)29)5-3-21(11-16(26)27)4-6-23(13-18(30)31)10-15(25)20-2-8-33/h1-2,7,32-33H,3-6,8-13H2,(H,19,24)(H,26,27)(H,28,29)(H,30,31)/b7-1+,20-2?