2-azanyl-5-[[3-[[3-[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-oxidanylidene-3-(2-oxidanylidenepropylamino)propyl]sulfanyl-2-ethoxycarbonyl-4-oxidanyl-5-oxidanylidene-furan-2-yl]methylsulfanyl]-1-oxidanylidene-1-(2-oxidanylidenepropylamino)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-oxidanylidene-3-(2-oxidanylidenepropylamino)propyl]sulfanyl-2-ethoxycarbonyl-4-oxidanyl-5-oxidanylidene-furan-2-yl]methylsulfanyl]-1-oxidanylidene-1-(2-oxidanylidenepropylamino)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-(acetonylamino)-1-[[3-[3-(acetonylamino)-2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-oxo-propyl]sulfanyl-2-ethoxycarbonyl-4-hydroxy-5-oxo-2-furyl]methylsulfanylmethyl]-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[[3-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-oxo-3-(2-oxopropylamino)propyl]thio]-2-ethoxycarbonyl-4-hydroxy-5-oxo-2-furanyl]methylthio]-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-[[3-[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-oxo-3-(2-oxopropylamino)propyl]sulfanyl-2-ethoxycarbonyl-4-hydroxy-5-oxofuran-2-yl]methylsulfanyl]-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-(acetonylamino)-1-[[[3-[[3-(acetonylamino)-2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-keto-propyl]thio]-2-carbethoxy-4-hydroxy-5-keto-2-furyl]methylthio]methyl]-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid Formula: C30H44N6O15S2 MolecularWeight: 792.83156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N6O15S2/c1-4-50-29(49)30(13-52-11-18(24(42)33-9-14(2)37)35-20(39)7-5-16(31)26(44)45)23(22(41)28(48)51-30)53-12-19(25(43)34-10-15(3)38)36-21(40)8-6-17(32)27(46)47/h16-19,41H,4-13,31-32H2,1-3H3,(H,33,42)(H,34,43)(H,35,39)(H,36,40)(H,44,45)(H,46,47)