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MCG : Summary
Code
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MCG
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One-letter code
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X
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Molecule name
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(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE
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Synonyms
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4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID
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Systematic names
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Formula
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C10 H11 N O4
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Formal charge
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0
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Molecular weight
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209.199 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C(N)(c1ccc(C(=O)O)cc1)C |
SMILES
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CACTVS |
3.341 |
C[C](N)(C(O)=O)c1ccc(cc1)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(c1ccc(cc1)C(=O)O)(C(=O)O)N |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N |
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IUPAC InChI | InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 |
IUPAC InChI key | DNCAZYRLRMTVSF-JTQLQIEISA-N |
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wwPDB Information |
Atom count
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26 (15 without Hydrogen)
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Polymer type
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Bound ligand
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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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UNK
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Defined at
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2002-01-07
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Last modified at
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2021-03-01
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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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