4-((1r)-1-{n-Methyl-n-[(1r)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-2-(2-naphthyl)ethyl]carbamoyl}-2-(2-naphthyl)ethyl)carbamoylpiperidine-1-carboxylic acid tert-butylester (HCID 54457882)

기본 정보

표준 SMILES: Cc1noc([C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIKey: WZMQWUMQZXAMIC-VSJLXWSYSA-N
분자식: C40H45N5O5
평균 분자량: 675.8 g/mol

이름 및 식별자

우선 이름: 4-((1r)-1-{n-Methyl-n-[(1r)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-2-(2-naphthyl)ethyl]carbamoyl}-2-(2-naphthyl)ethyl)carbamoylpiperidine-1-carboxylic acid tert-butylester
IUPAC: tert-butyl 4-[[(2R)-1-[methyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate

이름 및 동의어

SCHEMBL6601229WZMQWUMQZXAMIC-VSJLXWSYSA-N4-((1r)-1-{n-methyl-n-[(1r)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-2-(2-naphthyl)ethyl]carbamoyl}-2-(2-naphthyl)ethyl)carbamoylpiperidine-1-carboxylic acid tert-butylester4-((1r)-1-{n-methyl-n-[(1r)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-2-(2-naphthyl)ethyl]carbamoyl}-2-(2naphthyl)ethyl)carbamoylpiperidine-1-carboxylic acid tert-butylester

데이터베이스 식별자

PubChem CID: 54457882

물성

구조 계산 물성

XLogP: 7
극성 표면적: 118 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 11
무거운 원자 수: 50
형식 전하: 0
복잡도: 1,150

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