2-[2-[[2-[[1-[4-azanyl-2-[[5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-[[1-[4-azanyl-2-[[5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[1-[4-amino-2-[[5-amino-2-(2-aminopropanoylamino)-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[[1-[4-amino-2-[[5-amino-2-[(2-amino-1-oxopropyl)amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[1-[4-amino-2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[1-[2-[[2-(alanylamino)-5-amino-5-keto-pentanoyl]amino]-4-amino-4-keto-butanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]glutaric acid Formula: C27H43N9O13 MolecularWeight: 701.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C27H43N9O13/c1-12(28)22(43)33-13(4-6-18(29)38)24(45)34-15(9-19(30)39)26(47)36-8-2-3-17(36)25(46)35-16(11-37)23(44)31-10-20(40)32-14(27(48)49)5-7-21(41)42/h12-17,37H,2-11,28H2,1H3,(H2,29,38)(H2,30,39)(H,31,44)(H,32,40)(H,33,43)(H,34,45)(H,35,46)(H,41,42)(H,48,49)