2-[[2-[2-[[1-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[2-[[1-[2-[[2-[2,6-bis(azanyl)hexanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-oxidanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-[[1-[2-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetic acid CAS Name: 2-[[2-[[2-[[[1-[2-[[5-(diaminomethylideneamino)-2-[(2,6-diamino-1-oxohexyl)amino]-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-[[1-[2-[[2-(2,6-diaminohexanoylamino)-5-guanidino-pentanoyl]amino]acetyl]prolyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetic acid Formula: C26H47N11O9 MolecularWeight: 657.71968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)O

InChI

InChI=1S/C26H47N11O9/c27-8-2-1-5-15(28)22(43)36-16(6-3-9-31-26(29)30)23(44)33-12-20(40)37-10-4-7-18(37)25(46)32-11-19(39)35-17(14-38)24(45)34-13-21(41)42/h15-18,38H,1-14,27-28H2,(H,32,46)(H,33,44)(H,34,45)(H,35,39)(H,36,43)(H,41,42)(H4,29,30,31)