(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-(2-chloroethylcarbamoylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(2-chloroethylamino)-oxomethyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2-chloroethylcarbamoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[(2-chloroethylcarbamoylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C13H21ClN4O7S MolecularWeight: 412.84644

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CSC(=O)NCCCl)C(=O)NCC(=O)O)C(C(=O)O)N

Isomeric SMILES

C(CC(=O)N[C@@H](CSC(=O)NCCCl)C(=O)NCC(=O)O)[C@@H](C(=O)O)N

InChI

InChI=1S/C13H21ClN4O7S/c14-3-4-16-13(25)26-6-8(11(22)17-5-10(20)21)18-9(19)2-1-7(15)12(23)24/h7-8H,1-6,15H2,(H,16,25)(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t7-,8-/m0/s1