6-azanyl-5-[2-[[3-[[4-(carboxymethyloxy)-1-[3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-azanyl-5-[2-[[3-[[4-(carboxymethyloxy)-1-[3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]-2-oxidanylidene-hexanoyl]amino]ethanoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-amino-5-[[2-[[3-[[4-(carboxymethyloxy)-1-[2-(isobutoxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-2-oxo-hexanoyl]amino]acetyl]amino]-6-oxo-hexanoic acid CAS Name: 6-amino-5-[[2-[[3-[[[4-(carboxymethyloxy)-1-[3-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,2-dioxohexyl]amino]-1-oxoethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-amino-5-[[2-[[3-[[4-(carboxymethyloxy)-1-[3-methyl-2-(2-methylpropoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-2-oxohexanoyl]amino]acetyl]amino]-6-oxohexanoic acid Traditional Name: 6-amino-5-[[2-[[3-[[4-(carboxymethyloxy)-1-[2-(isobutoxycarbonylamino)-3-methyl-butanoyl]prolyl]amino]-2-keto-hexanoyl]amino]acetyl]amino]-6-keto-hexanoic acid Formula: C31H50N6O13 MolecularWeight: 714.7611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(=O)NCC(=O)NC(CCCC(=O)O)C(=O)N)NC(=O)C1CC(CN1C(=O)C(C(C)C)NC(=O)OCC(C)C)OCC(=O)O

Isomeric SMILES

CCCC(C(=O)C(=O)NCC(=O)NC(CCCC(=O)O)C(=O)N)NC(=O)C1CC(CN1C(=O)C(C(C)C)NC(=O)OCC(C)C)OCC(=O)O

InChI

InChI=1S/C31H50N6O13/c1-6-8-19(26(43)29(46)33-12-22(38)34-20(27(32)44)9-7-10-23(39)40)35-28(45)21-11-18(49-15-24(41)42)13-37(21)30(47)25(17(4)5)36-31(48)50-14-16(2)3/h16-21,25H,6-15H2,1-5H3,(H2,32,44)(H,33,46)(H,34,38)(H,35,45)(H,36,48)(H,39,40)(H,41,42)