AMY

ANTIMYCIN

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where AMY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	76
Chiral Atom Count	5
Bond Count	77
Aromatic Bond Count	6

2D diagram of AMY

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Chemical Component Summary
Name	ANTIMYCIN
Systematic Name (OpenEye OEToolkits)	[(2S,3S,6R,7R,8R)-3-[(3-formamido-2-hydroxy-phenyl)carbonylamino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate
Formula	C₂₇ H₃₈ N₂ O₉
Molecular Weight	534.599
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)CC(C)C)C(C(=O)OC2C)CCCCC)C
SMILES	CACTVS	3.341	CCCCC[CH]1[CH](OC(=O)CC(C)C)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C
Canonical SMILES	CACTVS	3.341	CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@H](C)OC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCC[C@@H]1[C@H]([C@H](OC(=O)[C@H]([C@@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C
InChI	InChI	1.03	InChI=1S/C27H38N2O9/c1-6-7-8-10-19-24(38-21(31)13-15(2)3)17(5)37-27(35)22(16(4)36-26(19)34)29-25(33)18-11-9-12-20(23(18)32)28-14-30/h9,11-12,14-17,19,22,24,32H,6-8,10,13H2,1-5H3,(H,28,30)(H,29,33)/t16-,17+,19+,22-,24-/m0/s1
InChIKey	InChI	1.03	ZVYMCLIDNNTNCL-BJDKEMKCSA-N

Related Resource References

Resource Name	Reference
PubChem	5287676

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.