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97682-44-5 molecular structure
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(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-(piperidin-1-yl)piperidine-1-carboxylate

ChemBase ID: 642
Molecular Formular: C33H38N4O6
Molecular Mass: 586.67802
Monoisotopic Mass: 586.27913496
SMILES and InChIs

SMILES:
O(C(=O)N1CCC(N2CCCCC2)CC1)c1cc2c(c3Cn4c(c3nc2cc1)cc1[C@@](O)(CC)C(=O)OCc1c4=O)CC
Canonical SMILES:
CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1
InChI:
InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1
InChIKey:
UWKQSNNFCGGAFS-XIFFEERXSA-N

Cite this record

CBID:642 http://www.chembase.cn/molecule-642.html

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