6V1

(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Created:	2016-07-01
Last modified:	2024-09-27

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10 entries where 6V1 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	2
Bond Count	30
Aromatic Bond Count	0

2D diagram of 6V1

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Chemical Component Summary
Name	(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-azanyl-3-[(3~{R})-1-ethyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid
Formula	C₉ H₁₄ N₂ O₄ S
Molecular Weight	246.283
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN1C(=O)C[CH](SC[CH](N)C(O)=O)C1=O
SMILES	OpenEye OEToolkits	2.0.5	CCN1C(=O)CC(C1=O)SCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CCN1C(=O)C[C@@H](SC[C@H](N)C(O)=O)C1=O
Canonical SMILES	OpenEye OEToolkits	2.0.5	CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H14N2O4S/c1-2-11-7(12)3-6(8(11)13)16-4-5(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,14,15)/t5-,6+/m0/s1
InChIKey	InChI	1.03	RPPKKMNJEXCQNS-NTSWFWBYSA-N

Related Resource References

Resource Name	Reference
PubChem	137348529

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