143

S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE

Created:	2001-09-05
Last modified:	2024-09-27

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2 entries where 143 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	3
Bond Count	30
Aromatic Bond Count	0

2D diagram of 143

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Chemical Component Summary
Name	S-2,3-DIHYDRO-5-GLYCIN-2-YL-ISOXAZOL-3-YL-CYSTEINE
Synonyms	2-AMINO-3-[5-(AMINO-CARBOXY-METHYL)-2,3-DIHYDRO-ISOXAZOL-3-YLSULFANYL]-PROPIONIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-[[(3R)-5-[(1S)-1-amino-2-hydroxy-2-oxo-ethyl]-2,3-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid
Formula	C₈ H₁₃ N₃ O₅ S
Molecular Weight	263.271
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(C=1ONC(SCC(N)C(=O)O)C=1)N
SMILES	CACTVS	3.341	N[CH](CS[CH]1NOC(=C1)[CH](N)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1=C(ONC1SCC(C(=O)O)N)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CS[C@H]1NOC(=C1)[C@H](N)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=C(ON[C@@H]1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H13N3O5S/c9-3(7(12)13)2-17-5-1-4(16-11-5)6(10)8(14)15/h1,3,5-6,11H,2,9-10H2,(H,12,13)(H,14,15)/t3-,5+,6-/m0/s1
InChIKey	InChI	1.03	BKLXHXYNMPKLBR-LFRDXLMFSA-N

Drug Info: DrugBank

DrugBank ID	DB01974
Name	2-Amino-3-[5-(Amino-Carboxy-Methyl)-2,3-Dihydro-Isoxazol-3-Ylsulfanyl]-Propionic Acid
Groups	experimental
Synonyms	2-Amino-3-[5-(Amino-Carboxy-Methyl)-2,3-Dihydro-Isoxazol-3-Ylsulfanyl]-Propionic Acid

Related Resource References

Resource Name	Reference
PubChem	17753762

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