(3S)-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-3-[(2S)-2-[(3-methoxyphenyl)formamido]-4,4-dimethylpentanamido]butanoic acid (HCID 11496988)

기본 정보

표준 SMILES: COc1cccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CC(=O)O)CN2CCc3cc(F)ccc32)c1
InChIKey: YLLKTSVLFWTXPB-UNMCSNQZSA-N
분자식: C27H34FN3O5
평균 분자량: 499.6 g/mol
단동위원소 질량: 499.24824936

이름 및 식별자

우선 이름: (3S)-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-3-[(2S)-2-[(3-methoxyphenyl)formamido]-4,4-dimethylpentanamido]butanoic acid
IUPAC: (3S)-4-(5-fluoro-2,3-dihydroindol-1-yl)-3-[[(2S)-2-[(3-methoxybenzoyl)amino]-4,4-dimethylpentanoyl]amino]butanoic acid

이름 및 동의어

SCHEMBL4798631CHEMBL1162922arylaminoethyl amide compound 11BDBM19612YLLKTSVLFWTXPB-UNMCSNQZSA-N(3S)-4-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-3-[(2S)-2-[(3-methoxyphenyl)formamido]-4,4-dimethylpentanamido]butanoic acid(s,s)-4-(5-fluoro-2,3-dihydro-indol-1-yl)-3-[2-(3-methoxy-benzoylamino)-4,4-dimethyl-pentanoylamino]-butyric acid

데이터베이스 식별자

PubChem CID: 11496988
ChEMBL: CHEMBL1162922

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 108 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 7
회전 가능 결합 수: 11
무거운 원자 수: 36
형식 전하: 0
복잡도: 773

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