2-azanyl-5-[[3-[[3-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-2-ethoxycarbonyl-4-oxidanyl-5-oxidanylidene-furan-2-yl]methylsulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[[3-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-2-ethoxycarbonyl-4-oxidanyl-5-oxidanylidene-furan-2-yl]methylsulfanyl]-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[[3-[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-2-ethoxycarbonyl-4-hydroxy-5-oxo-2-furyl]methylsulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[[3-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(carboxymethylamino)-3-oxopropyl]thio]-2-ethoxycarbonyl-4-hydroxy-5-oxo-2-furanyl]methylthio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-[[3-[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2-ethoxycarbonyl-4-hydroxy-5-oxofuran-2-yl]methylsulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[[3-[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(carboxymethylamino)-3-keto-propyl]thio]-2-carbethoxy-4-hydroxy-5-keto-2-furyl]methylthio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C28H40N6O17S2 MolecularWeight: 796.7772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=C(C(=O)O1)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCOC(=O)C1(C(=C(C(=O)O1)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C28H40N6O17S2/c1-2-50-27(49)28(11-52-9-14(22(42)31-7-18(37)38)33-16(35)5-3-12(29)24(44)45)21(20(41)26(48)51-28)53-10-15(23(43)32-8-19(39)40)34-17(36)6-4-13(30)25(46)47/h12-15,41H,2-11,29-30H2,1H3,(H,31,42)(H,32,43)(H,33,35)(H,34,36)(H,37,38)(H,39,40)(H,44,45)(H,46,47)