2-[[2-[[2-[[2-[[1-[2-[2-[(2-azanyl-4-methyl-pentanoyl)amino]propanoylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[1-[2-[2-[(2-azanyl-4-methyl-pentanoyl)amino]propanoylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[1-[2-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[[1-[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[1-[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]acetyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[1-[2-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]acetyl]prolyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C37H68N14O10 MolecularWeight: 869.02362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68N14O10/c1-19(2)15-22(38)30(55)46-21(5)29(54)45-17-28(53)51-14-8-11-27(51)34(59)47-23(9-6-12-43-36(39)40)31(56)50-26(18-52)33(58)49-25(16-20(3)4)32(57)48-24(35(60)61)10-7-13-44-37(41)42/h19-27,52H,6-18,38H2,1-5H3,(H,45,54)(H,46,55)(H,47,59)(H,48,57)(H,49,58)(H,50,56)(H,60,61)(H4,39,40,43)(H4,41,42,44)