3-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[[1-[[1-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[5-[bis(azanyl)methylideneamino]-1-[[1-[[1-[[1-[[1-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[4-guanidino-1-[[1-[[1-[[1-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-[[5-(diaminomethylideneamino)-1-[[1-[[1-[[1-[[3-hydroxy-1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[5-(diaminomethylideneamino)-1-[[1-[[1-[[1-[[3-hydroxy-1-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[4-guanidino-1-[[1-[[1-[[1-[[2-hydroxy-1-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]butyl]amino]-4-keto-butyric acid Formula: C50H84N16O13 MolecularWeight: 1117.30136

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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)O)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)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C50H84N16O13/c1-10-26(7)38(46(75)62-33(16-25(5)6)45(74)66-40(28(9)67)48(77)63-36(49(78)79)18-30-21-55-23-58-30)65-47(76)39(27(8)11-2)64-42(71)32(13-12-14-56-50(52)53)59-44(73)35(19-37(68)69)61-43(72)34(17-29-20-54-22-57-29)60-41(70)31(51)15-24(3)4/h20-28,31-36,38-40,67H,10-19,51H2,1-9H3,(H,54,57)(H,55,58)(H,59,73)(H,60,70)(H,61,72)(H,62,75)(H,63,77)(H,64,71)(H,65,76)(H,66,74)(H,68,69)(H,78,79)(H4,52,53,56)