2-azanyl-5-[[1-(carboxymethylamino)-3-[3-[(3-methoxy-3-oxidanylidene-2-phenyl-propyl)amino]-2,3-bis(oxidanylidene)propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[3-[(3-methoxy-3-oxidanylidene-2-phenyl-propyl)amino]-2,3-bis(oxidanylidene)propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[3-[(3-methoxy-3-oxo-2-phenyl-propyl)amino]-2,3-dioxo-propyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[3-[(3-methoxy-3-oxo-2-phenylpropyl)amino]-2,3-dioxopropyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[3-[(3-methoxy-3-oxo-2-phenylpropyl)amino]-2,3-dioxopropyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[[2,3-diketo-3-[(3-keto-3-methoxy-2-phenyl-propyl)amino]propyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C23H30N4O10S MolecularWeight: 554.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CNC(=O)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C1=CC=CC=C1

InChI

InChI=1S/C23H30N4O10S/c1-37-23(36)14(13-5-3-2-4-6-13)9-25-21(33)17(28)12-38-11-16(20(32)26-10-19(30)31)27-18(29)8-7-15(24)22(34)35/h2-6,14-16H,7-12,24H2,1H3,(H,25,33)(H,26,32)(H,27,29)(H,30,31)(H,34,35)