UAM

Amicoumacin A

Created:	2014-09-25
Last modified:	2014-10-15

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5 entries where UAM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	5
Bond Count	60
Aromatic Bond Count	6

2D diagram of UAM

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Chemical Component Summary
Name	Amicoumacin A
Systematic Name (OpenEye OEToolkits)	(2S,3S,4S)-4-azanyl-N-[(1S)-3-methyl-1-[(3S)-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]butyl]-2,3-bis(oxidanyl)hexanediamide
Formula	C₂₀ H₂₉ N₃ O₇
Molecular Weight	423.46
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N)CC(N)C(O)C(O)C(=O)NC(C2OC(=O)c1c(cccc1O)C2)CC(C)C
SMILES	CACTVS	3.385	CC(C)C[CH](NC(=O)[CH](O)[CH](O)[CH](N)CC(N)=O)[CH]1Cc2cccc(O)c2C(=O)O1
SMILES	OpenEye OEToolkits	1.7.6	CC(C)CC(C1Cc2cccc(c2C(=O)O1)O)NC(=O)C(C(C(CC(=O)N)N)O)O
Canonical SMILES	CACTVS	3.385	CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O
InChI	InChI	1.03	InChI=1S/C20H29N3O7/c1-9(2)6-12(23-19(28)18(27)17(26)11(21)8-15(22)25)14-7-10-4-3-5-13(24)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,24,26-27H,6-8,21H2,1-2H3,(H2,22,25)(H,23,28)/t11-,12-,14-,17-,18-/m0/s1
InChIKey	InChI	1.03	DCPWYLSPIAHJFU-YKRRISCLSA-N

Related Resource References

Resource Name	Reference
PubChem	25223631
ChEMBL	CHEMBL3799391

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.