기본 정보
- CAS
1296138-82-3- 표준 SMILES
C=CCC1CC[C@@H](C(=O)OC)N1C(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
PMIHOMILNBFLDE-YPJRHXLCSA-N- 분자식
- C25H35N3O7
- 평균 분자량
- 489.6 g/mol
- 단동위원소 질량
- 489.24750046
이름 및 식별자
- 우선 이름
- (2S)-Methyl 5-allyl-1-((S)-3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoyl)pyrrolidine-2-carboxylate
- IUPAC
- methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoyl]-5-prop-2-enylpyrrolidine-2-carboxylate
- 현지명
- L-프롤린,N-[(1,1-디메틸에톡시)카르보닐]-3-[[(페닐메톡시)카르보닐]아미노]-L-알라닐-5-(2-프로펜-1-일)-,메틸에스테르
- 영어명
- L-Proline, N-[(1,1-diMethylethoxy)carbonyl]-3-[[(phenylMethoxy)carbonyl]aMino]-L-alanyl-5-(2-propen-1-yl)-, Methyl ester
- 분자식
- C25H35N3O7
- 분자량
- 489.56
이름 및 동의어
1296138-82-3(2S)-Methyl 5-allyl-1-((S)-3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoyl)pyrrolidine-2-carboxylateL-Proline, N-[(1,1-diMethylethoxy)carbonyl]-3-[[(phenylMethoxy)carbonyl]aMino]-L-alanyl-5-(2-propen-methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoyl]-5-prop-2-enylpyrrolidine-2-carboxylateMethyl (2S)-5-allyl-1-((S)-3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoyl)pyrrolidine-2-carboxylate(2S)-Methyl5-allyl-1-((S)-3-(((benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)propanoyl)pyrrolidine-2-carboxylateSCHEMBL9973511methyl (2S)-1-[(2S)-3-{[(benzyloxy)carbonyl]amino}-2-{[(tert-butoxy)carbonyl]amino}propanoyl]-5-(prop-2-en-1-yl)pyrrolidine-2-carboxylateMFCD24038888Methyl (2S)-5-Allyl-1-[(S)-3-(Cbz-amino)-2-(Boc-amino)propanoyl]pyrrolidine-2-carboxylateSY286195DB-327688
이름 더 보기
L-프롤린,N-[(1,1-디메틸에톡시)카르보닐]-3-[[(페닐메톡시)카르보닐]아미노]-L-알라닐-5-(2-프로펜-1-일)-,메틸에스테르L-Proline, N-[(1,1-diMethylethoxy)carbonyl]-3-[[(phenylMethoxy)carbonyl]aMino]-L-alanyl-5-(2-propen-1-yl)-, Methyl ester
CS-0444460
데이터베이스 식별자
- CAS
1296138-82-3- PubChem CID
- 53486803
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 759
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
화학 및 산업
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