2-[[1-[2-[[4-azanyl-4-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid; 5-[bis(azanyl)methylideneamino]-2-[[1-[3-oxidanyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 2-[[1-[2-[[4-azanyl-4-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid; 5-[bis(azanyl)methylideneamino]-2-[[1-[3-oxidanyl-2-(pyrrolidin-2-ylcarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 2-[[1-[2-[[4-amino-4-oxo-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid; 5-guanidino-2-[[1-[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: 2-[[[1-[2-[[4-amino-1,4-dioxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]butyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid; 5-(diaminomethylideneamino)-2-[[[1-[3-hydroxy-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]propyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 2-[[1-[2-[[4-amino-4-oxo-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid; 5-(diaminomethylideneamino)-2-[[1-[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: 2-[[1-[2-[[4-amino-4-keto-2-(prolylamino)butanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]-5-guanidino-valeric acid; 5-guanidino-2-[[1-[3-hydroxy-2-(prolylamino)propanoyl]prolyl]amino]valeric acid Formula: C42H72N16O14 MolecularWeight: 1025.11988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O.C1CC(NC1)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O.C1CC(NC1)C(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C23H39N9O8.C19H33N7O6/c24-17(34)10-14(30-18(35)12-4-1-7-27-12)19(36)31-15(11-33)21(38)32-9-3-6-16(32)20(37)29-13(22(39)40)5-2-8-28-23(25)26;20-19(21)23-8-2-5-12(18(31)32)24-16(29)14-6-3-9-26(14)17(30)13(10-27)25-15(28)11-4-1-7-22-11/h12-16,27,33H,1-11H2,(H2,24,34)(H,29,37)(H,30,35)(H,31,36)(H,39,40)(H4,25,26,28);11-14,22,27H,1-10H2,(H,24,29)(H,25,28)(H,31,32)(H4,20,21,23)