5-[[1-[[1-[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[2-[[2-[2-[[2-[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]propanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-[[1-[[4-azanyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-[2-[[2-[2-[[2-[2-[(2-azanyl-3-oxidanyl-butanoyl)amino]propanoylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-methyl-butanoyl]amino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[[1-[(3-amino-1-carboxy-3-oxo-propyl)carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[2-[[2-[[2-[[2-[2-[(2-amino-3-hydroxy-butanoyl)amino]propanoylamino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 4-[2-[[2-[[2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]propanoylamino]-5-[[1-[[1-[(4-amino-1-hydroxy-1,4-dioxobutan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-[[1-[(3-amino-1-carboxy-3-keto-propyl)carbamoyl]-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]amino]-4-[2-[[2-[[2-[[2-[2-[(2-amino-3-hydroxy-butanoyl)amino]propanoylamino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-5-keto-valeric acid Formula: C37H63N11O18 MolecularWeight: 949.95902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(C)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(C)NC(=O)C(C(C)O)N

InChI

InChI=1S/C37H63N11O18/c1-13(2)26(46-23(54)11-40-31(59)21(12-49)45-30(58)14(3)41-33(61)25(39)16(5)50)34(62)42-15(4)29(57)43-19(8-9-24(55)56)32(60)47-28(18(7)52)36(64)48-27(17(6)51)35(63)44-20(37(65)66)10-22(38)53/h13-21,25-28,49-52H,8-12,39H2,1-7H3,(H2,38,53)(H,40,59)(H,41,61)(H,42,62)(H,43,57)(H,44,63)(H,45,58)(H,46,54)(H,47,60)(H,48,64)(H,55,56)(H,65,66)