2-[[2-[[2-[[2-[[5-azanyl-2-[[1-[1-[2-[[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[5-azanyl-2-[[1-[1-[2-[[2-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethanoylamino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[5-amino-2-[[1-[1-[2-[[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[5-amino-2-[[[1-[[1-[2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,5-dioxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[5-amino-2-[[1-[1-[2-[[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[5-amino-2-[[1-[1-[2-[[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]acetyl]amino]-4-methyl-pentanoyl]amino]propanoyl]prolyl]prolyl]amino]-5-keto-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C54H89N17O15 MolecularWeight: 1216.38936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(=O)O)N

InChI

InChI=1S/C54H89N17O15/c1-8-29(6)43(50(82)66-34(53(85)86)12-9-17-60-54(57)58)69-48(80)36(21-28(4)5)67-47(79)37(22-31-24-59-26-62-31)68-45(77)33(15-16-40(56)72)65-49(81)38-13-10-18-70(38)52(84)39-14-11-19-71(39)51(83)30(7)63-46(78)35(20-27(2)3)64-41(73)25-61-44(76)32(55)23-42(74)75/h24,26-30,32-39,43H,8-23,25,55H2,1-7H3,(H2,56,72)(H,59,62)(H,61,76)(H,63,78)(H,64,73)(H,65,81)(H,66,82)(H,67,79)(H,68,77)(H,69,80)(H,74,75)(H,85,86)(H4,57,58,60)