(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylthio)-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylsulfanyl)propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(2R)-2-amino-3-(2-bromoethylthio)propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid Formula: C12H20BrN3O6S MolecularWeight: 414.2727

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)N(CC(=O)O)C(=O)C(CSCCBr)N)C(C(=O)O)N

Isomeric SMILES

C(CC(=O)N(CC(=O)O)C(=O)[C@H](CSCCBr)N)[C@@H](C(=O)O)N

InChI

InChI=1S/C12H20BrN3O6S/c13-3-4-23-6-8(15)11(20)16(5-10(18)19)9(17)2-1-7(14)12(21)22/h7-8H,1-6,14-15H2,(H,18,19)(H,21,22)/t7-,8-/m0/s1