2-[[2-azanyl-3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[[2-azanyl-3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 2-[[2-amino-3-(4-morpholinosulfonylphenyl)propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid CAS Name: 2-[[2-amino-3-[4-(4-morpholinylsulfonyl)phenyl]-1-oxopropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[[2-amino-3-(4-morpholin-4-ylsulfonylphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 2-[[2-amino-3-(4-morpholinosulfonylphenyl)propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid Formula: C27H36N4O8S MolecularWeight: 576.66174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CC(C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CC(C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O)N

InChI

InChI=1S/C27H36N4O8S/c28-23(18-20-9-11-22(12-10-20)40(36,37)31-14-16-38-17-15-31)25(32)30-24(26(33)34)8-4-5-13-29-27(35)39-19-21-6-2-1-3-7-21/h1-3,6-7,9-12,23-24H,4-5,8,13-19,28H2,(H,29,35)(H,30,32)(H,33,34)