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

Systemtic Name: 3-[[2-[[2-[[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-4-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]butanoic acid Openeye Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-[[1-(hydroxymethyl)-2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-[[3-hydroxy-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[3-hydroxy-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-4-[[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-2-keto-1-methylol-ethyl]amino]-4-keto-butyric acid Formula: C37H68N14O13 MolecularWeight: 917.02182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H68N14O13/c1-17(2)12-20(38)28(56)50-26(16-53)34(62)47-22(9-7-11-44-37(41)42)29(57)48-23(13-18(3)4)31(59)46-21(8-6-10-43-36(39)40)30(58)49-24(14-27(54)55)32(60)51-25(15-52)33(61)45-19(5)35(63)64/h17-26,52-53H,6-16,38H2,1-5H3,(H,45,61)(H,46,59)(H,47,62)(H,48,57)(H,49,58)(H,50,56)(H,51,60)(H,54,55)(H,63,64)(H4,39,40,43)(H4,41,42,44)