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CJO : Summary
Code
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CJO
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One-letter code
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GYG
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Molecule name
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[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzyl)-5-oxoimidazolidin-1-yl]acetic acid
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Systematic names
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Formula
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C15 H21 N3 O5
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Formal charge
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0
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Molecular weight
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323.344 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1N(CC(=O)O)C(NC1Cc2ccc(O)cc2)C(N)C(O)C |
SMILES
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CACTVS |
3.341 |
C[CH](O)[CH](N)[CH]1N[CH](Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C(C1NC(C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H](O)[C@H](N)[C@@H]1N[C@H](Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@H]([C@@H](C1N[C@@H](C(=O)N1CC(=O)O)Cc2ccc(cc2)O)N)O |
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IUPAC InChI | InChI=1S/C15H21N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-5,8,11,13-14,17,19-20H,6-7,16H2,1H3,(H,21,22)/t8-,11-,13+,14?/m1/s1 |
IUPAC InChI key | BZMNQTKYDIZOBE-CZVDBWHYSA-N |
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wwPDB Information |
Atom count
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44 (23 without Hydrogen)
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Polymer type
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Amino Acid
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Type description
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L-PEPTIDE LINKING
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Type code
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ATOMP
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Is modified
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Yes
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Standard parent
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GLY
TYR
GLY
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Defined at
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2008-12-19
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Last modified at
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2024-09-27
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Status
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Released
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Obsoleted
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Not Assigned
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