(2S)-4,4-Difluoro-1-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (HCID 514625)

기본 정보

표준 SMILES: Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CC(F)(F)C(C)(C)[C@H]1C(=O)NCC(F)(F)F
InChIKey: RNHKISQLBXXGHK-SESVDKBCSA-N
분자식: C27H30F5N3O5
평균 분자량: 571.5 g/mol

이름 및 식별자

우선 이름: (2S)-4,4-Difluoro-1-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
IUPAC: (2S)-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

이름 및 동의어

(2S)-4,4-Difluoro-1-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamideSCHEMBL5711835(2S)-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-3,3-dimethyl-pyrrolidine-2-carboxylic acid (2,2,2-trifluoro-ethyl)-amide(2S)-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide4,4-difluoro-1-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-3,3-dimethyl-N-(2,2,2-trifluoroethyl)-L-prolinamide

데이터베이스 식별자

PubChem CID: 514625

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 119 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 10
회전 가능 결합 수: 8
무거운 원자 수: 40
형식 전하: 0
복잡도: 925

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