(phenylmethyl) 2-[2-[[2-[[2-[2-[2-azanylbutanoyl(methyl)amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]propanoylamino]propanoate

Systemtic Name: (phenylmethyl) 2-[2-[[2-[[2-[2-[2-azanylbutanoyl(methyl)amino]ethanoyl-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]propanoylamino]propanoate Openeye Name: benzyl 2-[2-[[2-[[2-[[2-[2-aminobutanoyl(methyl)amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]propanoylamino]propanoate CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-1-oxobutyl)-methylamino]-1-oxoethyl]-methylamino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-methylamino]-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[[2-[[2-[[2-[2-aminobutanoyl(methyl)amino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]propanoylamino]propanoate Traditional Name: 2-[2-[[2-[[2-[[2-[2-aminobutanoyl(methyl)amino]acetyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]-methyl-amino]propanoylamino]propionic acid benzyl ester Formula: C33H54N6O7 MolecularWeight: 646.81786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C)C(=O)NC(C)C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CCC(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C)C(=O)NC(C)C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C33H54N6O7/c1-11-25(34)31(43)37(8)18-27(40)39(10)26(17-20(2)3)30(42)36-28(21(4)5)32(44)38(9)23(7)29(41)35-22(6)33(45)46-19-24-15-13-12-14-16-24/h12-16,20-23,25-26,28H,11,17-19,34H2,1-10H3,(H,35,41)(H,36,42)