(E)-(3R,5S)-7-[3-(4-Fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid ((S)-1-phenyl-ethyl)-amide (HCID 59712856)

기본 정보

표준 SMILES: CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)N[C@@H](C)c2ccccc2)c(-c2ccc(F)cc2)c2ccccc21
InChIKey: QZDFAPUDKCWJBC-BNOQBIGVSA-N
분자식: C32H35FN2O3
평균 분자량: 514.6 g/mol
단동위원소 질량: 514.26317114

이름 및 식별자

우선 이름: (E)-(3R,5S)-7-[3-(4-Fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid ((S)-1-phenyl-ethyl)-amide
IUPAC: (E,3R,5S)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxy-N-[(1S)-1-phenylethyl]hept-6-enamide

이름 및 동의어

SCHEMBL13909690QZDFAPUDKCWJBC-BNOQBIGVSA-N(E)-(3R,5S)-7-[3-(4-Fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid ((S)-1-phenyl-ethyl)-amide(e)-(3r,5s)-7-[3-(4fluoro-phenyl)-1-isopropyl-1h-indol-2-yl]-3,5-dihydroxy-hept-6-enoic acid ((s)-1-phenyl-ethyl)-amide

데이터베이스 식별자

PubChem CID: 59712856

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 74.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 10
무거운 원자 수: 38
형식 전하: 0
복잡도: 762

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