2-[[3-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[3-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetic acid CAS Name: 2-[[3-methyl-2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[3-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]acetic acid Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H31N3O6/c1-13(2)10-16(23-21(29)30-12-15-8-6-5-7-9-15)19(27)24-18(14(3)4)20(28)22-11-17(25)26/h5-9,13-14,16,18H,10-12H2,1-4H3,(H,22,28)(H,23,29)(H,24,27)(H,25,26)