3-[[1-[(2,4-dimethylphenyl)methyl-phenylmethoxycarbonyl-amino]-3-oxidanyl-hexan-2-yl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[1-[(2,4-dimethylphenyl)methyl-phenylmethoxycarbonyl-amino]-3-oxidanyl-hexan-2-yl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[1-[[benzyloxycarbonyl-[(2,4-dimethylphenyl)methyl]amino]methyl]-2-hydroxy-pentyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[1-[(2,4-dimethylphenyl)methyl-phenylmethoxycarbonylamino]-3-hydroxyhexan-2-yl]amino]-3-oxopropanoic acid IUPAC Name: 3-[[1-[(2,4-dimethylphenyl)methyl-phenylmethoxycarbonylamino]-3-hydroxyhexan-2-yl]amino]-3-oxopropanoic acid Traditional Name: 3-[[1-[[carbobenzoxy-(2,4-dimethylbenzyl)amino]methyl]-2-hydroxy-pentyl]amino]-3-keto-propionic acid Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CN(CC1=C(C=C(C=C1)C)C)C(=O)OCC2=CC=CC=C2)NC(=O)CC(=O)O)O

Isomeric SMILES

CCCC(C(CN(CC1=C(C=C(C=C1)C)C)C(=O)OCC2=CC=CC=C2)NC(=O)CC(=O)O)O

InChI

InChI=1S/C26H34N2O6/c1-4-8-23(29)22(27-24(30)14-25(31)32)16-28(15-21-12-11-18(2)13-19(21)3)26(33)34-17-20-9-6-5-7-10-20/h5-7,9-13,22-23,29H,4,8,14-17H2,1-3H3,(H,27,30)(H,31,32)