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103775-10-6 molecular structure
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(3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

ChemBase ID: 573
Molecular Formular: C27H34N2O7
Molecular Mass: 498.56806
Monoisotopic Mass: 498.23660144
SMILES and InChIs

SMILES:
O=C(N1[C@@H](Cc2c(C1)cc(OC)c(OC)c2)C(=O)O)[C@@H](N[C@@H](CCc1ccccc1)C(=O)OCC)C
Canonical SMILES:
CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)O)OC)C)CCc1ccccc1
InChI:
InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1
InChIKey:
UWWDHYUMIORJTA-HSQYWUDLSA-N

Cite this record

CBID:573 http://www.chembase.cn/molecule-573.html

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