2-[[2-[[2-[[2-[[2-[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]ethanoylamino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[2-[2-[2-(2-azanylpropanoylamino)propanoylamino]ethanoylamino]ethanoylamino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-(alanylamino)propanoylamino]acetyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]glutaric acid Formula: C39H65N11O12 MolecularWeight: 879.9999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(C)N

InChI

InChI=1S/C39H65N11O12/c1-9-21(6)32(50-30(52)17-42-29(51)16-43-34(56)23(8)45-33(55)22(7)40)38(60)49-27(13-20(4)5)36(58)48-28(14-24-15-41-18-44-24)37(59)47-26(12-19(2)3)35(57)46-25(39(61)62)10-11-31(53)54/h15,18-23,25-28,32H,9-14,16-17,40H2,1-8H3,(H,41,44)(H,42,51)(H,43,56)(H,45,55)(H,46,57)(H,47,59)(H,48,58)(H,49,60)(H,50,52)(H,53,54)(H,61,62)