English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1AV6

Summary

Name:	N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C16 H21 N3 O3
Formal charge:	0
Formula weight:	303.356 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1~{H}-indole-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)C(CC(C)C)NC(=O)c1cc2c(cccc2OC)[NH]1
InChI	InChI	1.06	InChI=1S/C16H21N3O3/c1-9(2)7-12(15(17)20)19-16(21)13-8-10-11(18-13)5-4-6-14(10)22-3/h4-6,8-9,12,18H,7H2,1-3H3,(H2,17,20)(H,19,21)/t12-/m0/s1
InChIKey	InChI	1.06	ITEMZIMXDSGBIL-LBPRGKRZSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES	CACTVS	3.385	COc1cccc2[nH]c(cc12)C(=O)N[CH](CC(C)C)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)C[C@@H](C(=O)N)NC(=O)c1cc2c([nH]1)cccc2OC
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC(C(=O)N)NC(=O)c1cc2c([nH]1)cccc2OC

250835

PDB entries from 2026-03-18

PDB statistics

PDBj update info

Contact PDBj

numon