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Summary

Name:	5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid
Formula:	C26 H30 F N3 O5
Formal charge:	0
Formula weight:	483.532 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid
OpenEye OEToolkits	2.0.6	5-[(5~{R})-5-[(7-fluoranyl-1,1-dimethyl-2,3-dihydroinden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]-5-oxidanylidene-pentanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(OC)nc4c(c1)C(C(=O)Nc3cc2CCC(c2c(c3)F)(C)C)N(CC4)C(CCCC(O)=O)=O
InChI	InChI	1.03	InChI=1S/C26H30FN3O5/c1-26(2)11-9-15-13-16(14-18(27)23(15)26)28-25(34)24-17-7-8-20(35-3)29-19(17)10-12-30(24)21(31)5-4-6-22(32)33/h7-8,13-14,24H,4-6,9-12H2,1-3H3,(H,28,34)(H,32,33)/t24-/m1/s1
InChIKey	InChI	1.03	BENOEPUDOPGLCP-XMMPIXPASA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2[C@@H](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(CCC4(C)C)c3
SMILES	CACTVS	3.385	COc1ccc2[CH](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(CCC4(C)C)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CC1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C
SMILES	OpenEye OEToolkits	2.0.6	CC1(CCc2c1c(cc(c2)NC(=O)C3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C

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