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Summary

Name:	4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide
Formula:	C24 H23 N3 O3 S
Formal charge:	0
Formula weight:	433.523 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide
OpenEye OEToolkits	2.0.7	4-[2-[[(1~{R})-2-(1~{H}-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]amino]ethyl]benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccc(S(N)(=O)=O)cc1)CCNC(c2ccccc2)C(c4cnc3ccccc34)=O
InChI	InChI	1.03	InChI=1S/C24H23N3O3S/c25-31(29,30)19-12-10-17(11-13-19)14-15-26-23(18-6-2-1-3-7-18)24(28)21-16-27-22-9-5-4-8-20(21)22/h1-13,16,23,26-27H,14-15H2,(H2,25,29,30)/t23-/m1/s1
InChIKey	InChI	1.03	GLJNFDHGTNKTJR-HSZRJFAPSA-N
SMILES_CANONICAL	CACTVS	3.385	N[S](=O)(=O)c1ccc(CCN[C@@H](C(=O)c2c[nH]c3ccccc23)c4ccccc4)cc1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(CCN[CH](C(=O)c2c[nH]c3ccccc23)c4ccccc4)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@H](C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(C(=O)c2c[nH]c3c2cccc3)NCCc4ccc(cc4)S(=O)(=O)N

222415

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