4-azanyl-2-[[1-[2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[2-[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]propanoylamino]propanoylamino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[1-[2-[[6-azanyl-2-[[2-[[2-[[6-azanyl-2-[2-[2-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]propanoylamino]propanoylamino]propanoylamino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[1-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[2-[2-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]propanoylamino]propanoylamino]propanoylamino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[1-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[1-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[2-[2-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]propanoylamino]propanoylamino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[1-[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[2-[2-[2-[[2-amino-4-(methylthio)butanoyl]amino]propanoylamino]propanoylamino]propanoylamino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-4-keto-butyric acid Formula: C53H92N16O13S MolecularWeight: 1193.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCSC)N

InChI

InChI=1S/C53H92N16O13S/c1-28(2)22-37(49(77)64-36(15-10-12-19-55)48(76)67-39(24-33-26-58-27-59-33)52(80)69-20-13-16-41(69)51(79)68-40(53(81)82)25-42(57)70)66-50(78)38(23-29(3)4)65-47(75)35(14-9-11-18-54)63-45(73)32(7)61-43(71)30(5)60-44(72)31(6)62-46(74)34(56)17-21-83-8/h26-32,34-41H,9-25,54-56H2,1-8H3,(H2,57,70)(H,58,59)(H,60,72)(H,61,71)(H,62,74)(H,63,73)(H,64,77)(H,65,75)(H,66,78)(H,67,76)(H,68,79)(H,81,82)