(2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(1,4-dioxo-2-naphthyl)sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(1,4-dioxo-2-naphthalenyl)thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-(1,4-dioxonaphthalen-2-yl)sulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[(1,4-diketo-2-naphthyl)thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCC(C(=O)N(CC(=O)O)C(=O)CCC(C(=O)O)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C(C2=O)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N

InChI

InChI=1S/C20H21N3O8S/c21-12(20(30)31)5-6-16(25)23(8-17(26)27)19(29)13(22)9-32-15-7-14(24)10-3-1-2-4-11(10)18(15)28/h1-4,7,12-13H,5-6,8-9,21-22H2,(H,26,27)(H,30,31)/t12-,13-/m0/s1