3-(2-(Methyl-((1R)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic acid tert-butyl ester

HCID 53828316
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기본 정보

표준 SMILES
CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)C=CC1CN(C(=O)OC(C)(C)C)C1
InChIKey
GARBHORBEOVGKQ-FIRIVFDPSA-N
분자식
C36H44N4O5
평균 분자량
612.8 g/mol
단동위원소 질량
612.33117052

이름 및 식별자

우선 이름
3-(2-(Methyl-((1R)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 3-[3-[methyl-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-oxoprop-1-enyl]azetidine-1-carboxylate

이름 및 동의어

SCHEMBL6324711GARBHORBEOVGKQ-FIRIVFDPSA-N3-(2-(Methyl-((1R)-1-(methyl-((1R)-1-(methylcarbamoyl)-2-phenylethyl)carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic acid tert-butyl ester3-(2-(Methyl-((1R)-1-(methyl-((1R)-1-(methylcarbamoyl)-2phenylethyl)carbamoyl)-2-(2-naphthyl)ethyl)carbamoyl)vinyl)azetidine-1-carboxylic Acid Tert-Butyl Ester

데이터베이스 식별자

PubChem CID
53828316

물성

구조 계산 물성

XLogP
5
극성 표면적
99.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
12
무거운 원자 수
45

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