3-(1,3-benzodioxol-5-yl)-3-[[1-[2-(4-hydroxyphenyl)ethylamino]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-[2-(4-hydroxyphenyl)ethylamino]-1-oxidanylidene-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(benzyloxycarbonylamino)-1-[2-(4-hydroxyphenyl)ethylcarbamoyl]pentyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(benzyloxycarbonylamino)-1-[2-(4-hydroxyphenyl)ethylcarbamoyl]pentyl]carbamoylamino]propionic acid Formula: C33H38N4O9 MolecularWeight: 634.67622

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NCCC4=CC=C(C=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NCCC4=CC=C(C=C4)O

InChI

InChI=1S/C33H38N4O9/c38-25-12-9-22(10-13-25)15-17-34-31(41)26(8-4-5-16-35-33(43)44-20-23-6-2-1-3-7-23)36-32(42)37-27(19-30(39)40)24-11-14-28-29(18-24)46-21-45-28/h1-3,6-7,9-14,18,26-27,38H,4-5,8,15-17,19-21H2,(H,34,41)(H,35,43)(H,39,40)(H2,36,37,42)