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

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-azanyl-2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C50H85N17O12 MolecularWeight: 1116.3166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C50H85N17O12/c1-10-26(7)38(46(75)63-33(16-25(5)6)45(74)67-40(28(9)68)48(77)64-36(49(78)79)18-30-21-56-23-59-30)66-47(76)39(27(8)11-2)65-42(71)32(13-12-14-57-50(53)54)60-44(73)35(19-37(52)69)62-43(72)34(17-29-20-55-22-58-29)61-41(70)31(51)15-24(3)4/h20-28,31-36,38-40,68H,10-19,51H2,1-9H3,(H2,52,69)(H,55,58)(H,56,59)(H,60,73)(H,61,70)(H,62,72)(H,63,75)(H,64,77)(H,65,71)(H,66,76)(H,67,74)(H,78,79)(H4,53,54,57)