G74

ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE

Created:	2011-07-24
Last modified:	2024-09-27

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2 entries where G74 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	2
Bond Count	51
Aromatic Bond Count	0

2D diagram of G74

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Chemical Component Summary
Name	ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Systematic Name (OpenEye OEToolkits)	ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula	C₁₆ H₂₈ N₂ O₅
Molecular Weight	328.404
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCC)CCC(NC(=O)OC(C)(C)C)CC1C(=O)NCC1
SMILES	CACTVS	3.385	CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)OC(C)(C)C
SMILES	OpenEye OEToolkits	1.9.2	CCOC(=O)CCC(CC1CCNC1=O)NC(=O)OC(C)(C)C
Canonical SMILES	CACTVS	3.385	CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C
InChI	InChI	1.03	InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1
InChIKey	InChI	1.03	VOUMGEIBLJTQJX-NWDGAFQWSA-N

Related Resource References

Resource Name	Reference
PubChem	137349401

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