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

Systemtic Name: 2-[[4-azanyl-2-[[2-[[2-[2-[[2-[[6-azanyl-2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[4-amino-2-[[2-[[2-[2-[[2-[[6-amino-2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[4-amino-2-[[2-[[2-[2-[[2-[[6-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[4-amino-2-[[2-[[2-[2-[[2-[[6-amino-2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]-3-mercapto-propionic acid Formula: C41H71N13O11S2 MolecularWeight: 986.21294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H71N13O11S2/c1-19(2)12-26(49-34(57)24(43)16-66)37(60)48-25(10-8-9-11-42)35(58)50-27(13-23-15-45-18-46-23)36(59)47-22(7)33(56)53-32(21(5)6)40(63)54-31(20(3)4)39(62)51-28(14-30(44)55)38(61)52-29(17-67)41(64)65/h15,18-22,24-29,31-32,66-67H,8-14,16-17,42-43H2,1-7H3,(H2,44,55)(H,45,46)(H,47,59)(H,48,60)(H,49,57)(H,50,58)(H,51,62)(H,52,61)(H,53,56)(H,54,63)(H,64,65)