기본 정보
- CAS
5262-09-9- 표준 SMILES
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C- InChIKey
IIKFSOBAQUIBGK-LJWNLINESA-N- 분자식
- C35H45N5O9S
- 평균 분자량
- 711.8 g/mol
- 단동위원소 질량
- 711.2937992
이름 및 식별자
- 우선 이름
- 1-Methyl N-(N-(N-(N-((tert-butoxy)carbonyl)-L-tryptophyl)-L-methionyl)-L-alpha-aspartyl)-3-phenyl-L-alaninate
- IUPAC
- (3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
- 현지명
- 1-메틸N-[N-[N-[N-[(tert-부톡시)카르보닐]-L-트립토필]-L-메티오닐]-L-알파-아스파르틸]-3-페닐-L-알라네이트
- 영어명
- 1-methyl N-[N-[N-[N-[(tert-butoxy)carbonyl]-L-tryptophyl]-L-methionyl]-L-alpha-aspartyl]-3-phenyl-L-alaninate
- 분자식
- C35H45N5O9S
- 분자량
- 711.8249
이름 및 동의어
5262-09-9EINECS 226-074-6DTXSID909670571-Methyl N-(N-(N-(N-((tert-butoxy)carbonyl)-L-tryptophyl)-L-methionyl)-L-alpha-aspartyl)-3-phenyl-L-alaninateNS00044818(6S,9S,12S)-4,7,10-Trihydroxy-12-(hydroxy{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]imino}methyl)-6-[(1H-indol-3-yl)methyl]-2,2-dimethyl-9-[2-(methylsulfanyl)ethyl]-3-oxa-5,8,11-triazatetradeca-4,7,10-trien-14-oic acid4,7,10-Trihydroxy-12-{hydroxy[(1-methoxy-1-oxo-3-phenylpropan-2-yl)imino]methyl}-6-[(1H-indol-3-yl)methyl]-2,2-dimethyl-9-[2-(methylsulfanyl)ethyl]-3-oxa-5,8,11-triazatetradeca-4,7,10-trien-14-oic acid1-메틸N-[N-[N-[N-[(tert-부톡시)카르보닐]-L-트립토필]-L-메티오닐]-L-알파-아스파르틸]-3-페닐-L-알라네이트Boc-L-Trp-L-Met-L-αAsp-L-Phe-OMe1-methyl N-[N-[N-[N-[(tert-butoxy)carbonyl]-L-tryptophyl]-L-methionyl]-L-alpha-aspartyl]-3-phenyl-L-alaninate
데이터베이스 식별자
- CAS
5262-09-9- PubChem CID
- 111053
- DTXSID
DTXSID90967057- EC Number
- 226-074-6
- Nikkaji
- J297.962D
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 230 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,180
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