7Y2

N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide

Created:	2021-08-23
Last modified:	2024-09-27

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1 entries where 7Y2 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	76
Chiral Atom Count	3
Bond Count	77
Aromatic Bond Count	6

2D diagram of 7Y2

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Chemical Component Summary
Name	N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
Systematic Name (OpenEye OEToolkits)	(phenylmethyl) ~{N}-[1-[[(2~{S})-4,4-dimethyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-2-methyl-1-oxidanylidene-propan-2-yl]carbamate
Formula	C₂₆ H₄₀ N₄ O₆
Molecular Weight	504.619
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCc1ccccc1)NC(C)(C)C(=O)NC(CC(C)(C)C)C(=O)NC(CC1CCNC1=O)CO
SMILES	CACTVS	3.385	CC(C)(C)C[CH](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O)C(C)(C)NC(=O)OCc2ccccc2
Canonical SMILES	CACTVS	3.385	CC(C)(C)C[C@H](NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)CO)NC(=O)C(C)(C)NC(=O)OCc2ccccc2
InChI	InChI	1.03	InChI=1S/C26H40N4O6/c1-25(2,3)14-20(22(33)28-19(15-31)13-18-11-12-27-21(18)32)29-23(34)26(4,5)30-24(35)36-16-17-9-7-6-8-10-17/h6-10,18-20,31H,11-16H2,1-5H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t18-,19-,20-/m0/s1
InChIKey	InChI	1.03	IGYKFNIEXCKNFT-UFYCRDLUSA-N

Related Resource References

Resource Name	Reference
PubChem	164575867

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