3V5

(3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline

Created:	2014-11-05
Last modified:	2024-09-27

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1 entries where 3V5 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	4
Bond Count	38
Aromatic Bond Count	0

2D diagram of 3V5

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Chemical Component Summary
Name	(3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline
Synonyms	olivanic acid analog, open from
Systematic Name (OpenEye OEToolkits)	(2R,3S,5S)-3-[(aminomethylamino)methylsulfanyl]-5-[(2S)-1,3-bis(oxidanylidene)butan-2-yl]pyrrolidine-2-carboxylic acid
Formula	C₁₁ H₁₉ N₃ O₄ S
Molecular Weight	289.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C(C=O)C1NC(C(=O)O)C(SCNCN)C1)C
SMILES	CACTVS	3.385	CC(=O)[CH](C=O)[CH]1C[CH](SCNCN)[CH](N1)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)C(C=O)C1CC(C(N1)C(=O)O)SCNCN
Canonical SMILES	CACTVS	3.385	CC(=O)[C@H](C=O)[C@@H]1C[C@H](SCNCN)[C@H](N1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)[C@H](C=O)[C@@H]1C[C@@H]([C@H](N1)C(=O)O)SCNCN
InChI	InChI	1.03	InChI=1S/C11H19N3O4S/c1-6(16)7(3-15)8-2-9(19-5-13-4-12)10(14-8)11(17)18/h3,7-10,13-14H,2,4-5,12H2,1H3,(H,17,18)/t7-,8-,9-,10-/m0/s1
InChIKey	InChI	1.03	SKDDBJCIWUNJNL-XKNYDFJKSA-N

Related Resource References

Resource Name	Reference
PubChem	137348177

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