7K0
(2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid
Created: | 2016-11-03 |
Last modified: | 2017-08-16 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 59 |
Chiral Atom Count | 2 |
Bond Count | 59 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid |
Formula | C18 H29 N4 O7 P |
Molecular Weight | 444.419 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)C[CH](NC(=O)[CH](CN)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)CC(C(=O)O)NC(=O)C(CN)NP(=O)(CNC(=O)OCc1ccccc1)O |
Canonical SMILES | CACTVS | 3.385 | CC(C)C[C@H](NC(=O)[C@H](CN)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O |
InChI | InChI | 1.03 | InChI=1S/C18H29N4O7P/c1-12(2)8-14(17(24)25)21-16(23)15(9-19)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1 |
InChIKey | InChI | 1.03 | XZHIMTMEWJSRRL-GJZGRUSLSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 129318951 |