7VI

N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide

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

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

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Chemical Details
Formal Charge	0
Atom Count	74
Chiral Atom Count	4
Bond Count	76
Aromatic Bond Count	6

2D diagram of 7VI

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Chemical Component Summary
Name	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide
Systematic Name (OpenEye OEToolkits)	(phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate
Formula	C₂₆ H₃₈ N₄ O₆
Molecular Weight	502.603
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CC1)C(=O)NC(CC1CCNC1=O)CO
SMILES	CACTVS	3.385	CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CC2CC2)C(=O)N[CH](CO)C[CH]3CCNC3=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(C(=O)NC(CC1CC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCc3ccccc3
Canonical SMILES	CACTVS	3.385	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@H](CO)C[C@@H]3CCNC3=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)[C@@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccccc3
InChI	InChI	1.03	InChI=1S/C26H38N4O6/c1-16(2)22(30-26(35)36-15-18-6-4-3-5-7-18)25(34)29-21(12-17-8-9-17)24(33)28-20(14-31)13-19-10-11-27-23(19)32/h3-7,16-17,19-22,31H,8-15H2,1-2H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
InChIKey	InChI	1.03	OBXMCOOSINYKTR-CMOCDZPBSA-N

Related Resource References

Resource Name	Reference
PubChem	164575861

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