ZP6
(2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
Created: | 2020-08-07 |
Last modified: | 2021-09-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 53 |
Chiral Atom Count | 2 |
Bond Count | 55 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-3-phenyl-2-[[(2~{S})-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid |
Formula | C22 H24 N2 O5 |
Molecular Weight | 396.436 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(C(=O)O)NC(=O)C2CCCN2C(=O)OCc3ccccc3 |
Canonical SMILES | CACTVS | 3.385 | OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C22H24N2O5/c25-20(23-18(21(26)27)14-16-8-3-1-4-9-16)19-12-7-13-24(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,25)(H,26,27)/t18-,19-/m0/s1 |
InChIKey | InChI | 1.03 | GMUYSWQSSRROPG-OALUTQOASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7078922 |