(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[2-(4-azidophenyl)-2-oxidanylidene-ethyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[[2-(4-azidophenyl)-2-oxoethyl]thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[2-(4-azidophenyl)-2-oxoethyl]sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[[2-(4-azidophenyl)-2-keto-ethyl]thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid Formula: C18H22N6O7S MolecularWeight: 466.46828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N)N=[N+]=[N-]

InChI

InChI=1S/C18H22N6O7S/c19-12(18(30)31)5-6-15(26)24(7-16(27)28)17(29)13(20)8-32-9-14(25)10-1-3-11(4-2-10)22-23-21/h1-4,12-13H,5-9,19-20H2,(H,27,28)(H,30,31)/t12-,13-/m0/s1