1H-이미다졸-4-카르복실산,4,5-DIHYDRO-2-[[[(페닐메톡시)카르보닐]아미노]메틸]-,메틸에스테르,(S)-
Methyl 2-({[(benzyloxy)carbonyl]amino}methyl)-4,5-dihydro-1H-imidazole-5-carboxylate
기본 정보
- CAS
1159813-39-4- 표준 SMILES
COC(=O)C1CN=C(CNC(=O)OCc2ccccc2)N1- InChIKey
RZTHEMOWHQHWKD-NSHDSACASA-N- 분자식
- C14H17N3O4
- 평균 분자량
- 291.3 g/mol
- 단동위원소 질량
- 291.12190603
이름 및 식별자
- 우선 이름
- Methyl 2-({[(benzyloxy)carbonyl]amino}methyl)-4,5-dihydro-1H-imidazole-5-carboxylate
- IUPAC
- methyl 2-(phenylmethoxycarbonylaminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylate
- 현지명
- 1H-이미다졸-4-카르복실산,4,5-DIHYDRO-2-[[[(페닐메톡시)카르보닐]아미노]메틸]-,메틸에스테르,(S)-
- 영어명
- 1H-IMIDAZOLE-4-CARBOXYLIC ACID, 4,5-DIHYDRO-2-[[[(PHENYLMETHOXY)CARBONYL]AMINO]METHYL]-, METHYL ESTER, (S)-
- 분자식
- C14H17N3O4
- 분자량
- 291.3
이름 및 동의어
119140-50-0Methyl 2-({[(benzyloxy)carbonyl]amino}methyl)-4,5-dihydro-1H-imidazole-5-carboxylatemethyl 2-(phenylmethoxycarbonylaminomethyl)-4,5-dihydro-1H-imidazole-5-carboxylateDTXSID20556776DTXSID401123897METHYL (4S)-2-({[(BENZYLOXY)CARBONYL]AMINO}METHYL)-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLATEAKOS0159625401159813-39-41H-IMIDAZOLE-4-CARBOXYLIC ACID, 4,5-DIHYDRO-2-[[[(PHENYLMETHOXY)CARBONYL]AMINO]METHYL]-, METHYL ESTEAC-17219Methyl 4,5-dihydro-2-[[[(phenylmethoxy)carbonyl]amino]methyl]-1H-imidazole-5-carboxylate1H-이미다졸-4-카르복실산,4,5-DIHYDRO-2-[[[(페닐메톡시)카르보닐]아미노]메틸]-,메틸에스테르,(S)-
이름 더 보기
Reaxys ID: 4526375(S)-Methyl 2-((((benzyloxy)carbonyl)amino)methyl)-4,5-dihydro-1H-imidazole-4-carboxylate1H-IMIDAZOLE-4-CARBOXYLIC ACID, 4,5-DIHYDRO-2-[[[(PHENYLMETHOXY)CARBONYL]AMINO]METHYL]-, METHYL ESTER, (S)-1H-Imidazole-4-carboxylic acid, 4,5-dihydro-2-[[[(phenylmethoxy)carbonyl]amino]methyl]-, methyl ester, (S)- (9CI)
데이터베이스 식별자
- CAS
1159813-39-4、119140-50-0- PubChem CID
- 14158745
- DTXSID
DTXSID20556776
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 89 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 405
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