CY6

N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE

Created:	2005-09-14
Last modified:	2024-09-27

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1 entries where CY6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	82
Chiral Atom Count	4
Bond Count	83
Aromatic Bond Count	5

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Chemical Component Summary
Name	N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)	ethyl (E,4S)-4-[[(2R,5S)-6-methyl-2-(3-methylbut-2-enyl)-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxo-heptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Formula	C₂₉ H₄₂ N₄ O₇
Molecular Weight	558.666
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C(=O)CC(C(=O)NC(\C=C\C(=O)OCC)CC1C(=O)NCC1)C\C=C(/C)C)C(C)C)c2noc(c2)C
SMILES	CACTVS	3.341	CCOC(=O)C=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC=C(C)C)CC(=O)[CH](NC(=O)c2cc(C)on2)C(C)C
SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC=C(C)C)CC(=O)C(C(C)C)NC(=O)c2cc(on2)C
Canonical SMILES	CACTVS	3.341	CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@@H](NC(=O)c2cc(C)on2)C(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C
InChI	InChI	1.03	InChI=1S/C29H42N4O7/c1-7-39-25(35)11-10-22(15-21-12-13-30-27(21)36)31-28(37)20(9-8-17(2)3)16-24(34)26(18(4)5)32-29(38)23-14-19(6)40-33-23/h8,10-11,14,18,20-22,26H,7,9,12-13,15-16H2,1-6H3,(H,30,36)(H,31,37)(H,32,38)/b11-10+/t20-,21+,22-,26+/m1/s1
InChIKey	InChI	1.03	CSNQHKJCKPMZCY-YFUAOJPXSA-N