G75

ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE

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

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3 entries where G75 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	72
Chiral Atom Count	3
Bond Count	74
Aromatic Bond Count	12

2D diagram of G75

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Chemical Component Summary
Name	ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Systematic Name (OpenEye OEToolkits)	ethyl (4R)-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate
Formula	C₂₈ H₃₅ N₃ O₆
Molecular Weight	509.594
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3
SMILES	CACTVS	3.385	CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
SMILES	OpenEye OEToolkits	1.9.2	CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3
Canonical SMILES	CACTVS	3.385	CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3
InChI	InChI	1.03	InChI=1S/C28H35N3O6/c1-2-36-25(32)14-13-23(18-22-15-16-29-26(22)33)30-27(34)24(17-20-9-5-3-6-10-20)31-28(35)37-19-21-11-7-4-8-12-21/h3-12,22-24H,2,13-19H2,1H3,(H,29,33)(H,30,34)(H,31,35)/t22-,23+,24-/m0/s1
InChIKey	InChI	1.03	PIZHLOUXQJUQHF-VXNXHJTFSA-N

Related Resource References

Resource Name	Reference
PubChem	137349402

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