4-[2-[[5-azanyl-2-[2-[2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]propanoylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]propanoylamino]-5-[2-[[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[2-[[5-azanyl-2-[2-[2-[[1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]propanoylamino]ethanoylamino]-5-oxidanylidene-pentanoyl]amino]propanoylamino]-5-[2-[[1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-[[5-amino-2-[[2-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetyl]amino]-5-oxo-pentanoyl]amino]propanoylamino]-5-[2-[[1-[[4-guanidino-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[5-amino-2-[[2-[[2-[[[1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-5-[2-[[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: 4-[2-[[5-amino-2-[[2-[2-[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoyl]amino]propanoylamino]-5-[2-[[1-[[5-(diaminomethylideneamino)-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: 4-[2-[[5-amino-2-[[2-[2-[(1-glycylprolyl)amino]propanoylamino]acetyl]amino]-5-keto-pentanoyl]amino]propanoylamino]-5-[2-[[1-[[4-guanidino-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]butyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]pyrrolidino]-5-keto-valeric acid Formula: C43H69N15O17 MolecularWeight: 1068.09826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)O)NC(=O)C2CCCN2C(=O)CN

Isomeric SMILES

CC(C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)O)NC(=O)C2CCCN2C(=O)CN

InChI

InChI=1S/C43H69N15O17/c1-20(51-39(71)27-8-5-15-57(27)31(61)18-44)34(66)49-19-30(60)53-24(10-12-29(45)59)37(69)50-21(2)35(67)55-25(11-13-32(62)63)41(73)58-16-6-9-28(58)40(72)56-26(17-33(64)65)38(70)54-23(7-4-14-48-43(46)47)36(68)52-22(3)42(74)75/h20-28H,4-19,44H2,1-3H3,(H2,45,59)(H,49,66)(H,50,69)(H,51,71)(H,52,68)(H,53,60)(H,54,70)(H,55,67)(H,56,72)(H,62,63)(H,64,65)(H,74,75)(H4,46,47,48)