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

Systemtic Name: (4S)-4-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-amino-5-[[(1R)-2-(carboxymethylamino)-1-[(3-methyl-1,4-dioxo-2-naphthyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(3-methyl-1,4-dioxo-2-naphthalenyl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[(1,4-diketo-3-methyl-2-naphthyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC1=C(C(=O)C2=CC=CC=C2C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C21H23N3O8S/c1-10-17(29)11-4-2-3-5-12(11)18(30)19(10)33-9-14(21(32)23-8-16(27)28)24-20(31)13(22)6-7-15(25)26/h2-5,13-14H,6-9,22H2,1H3,(H,23,32)(H,24,31)(H,25,26)(H,27,28)/t13-,14-/m0/s1