기본 정보
- CAS
204693-44-7- 표준 SMILES
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](N)Cc1cc(Br)c(O)c(Br)c1)C(=O)N1CCN(c2ccncc2)CC1- InChIKey
BIIQEMGIHKZLOH-RPWUZVMVSA-N- 분자식
- C29H40Br2N6O5
- 평균 분자량
- 712.5 g/mol
- 단동위원소 질량
- 710.14269
이름 및 식별자
- 우선 이름
- tert-Butyl ((S)-5-((R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanamido)-6-oxo-6-(4-(pyridin-4-yl)piperazin-1-yl)hexyl)carbamate
- IUPAC
- tert-butyl N-[(5S)-5-[[(2R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoyl]amino]-6-oxo-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]carbamate
이름 및 동의어
204693-44-7tert-Butyl ((S)-5-((R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanamido)-6-oxo-6-(4-(pyridin-4-yl)piperazin-1-yl)hexyl)carbamateCarbamic acid, [5-[[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropyl]amino]-6-oxo-6-[4-(4-pyridinyl)-1-piperazinyl]hexyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]-tert-butyl N-[(5S)-5-[[(2R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoyl]amino]-6-oxo-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]carbamateSCHEMBL3962019BIIQEMGIHKZLOH-RPWUZVMVSA-NDTXSID501099465CS-B1633AKOS037650671CS-151571-[N2-(3,5-dibromo-D-tyrosyl)-N6-(1,1-dimethylethoxycarbonyl)-L-lysyl]-4-(4-pyridinyl)-piperazineCarbamic acid, [5-[[2-amino-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropyl]amino]-6-oxo-6-[4-(4-pyridinyl)-1-piperazinyl]hexyl]-, 1,1-dimethylethyl ester, [S-(R*,S*)]- (9CI)
이름 더 보기
tert-Butyl((S)-5-((R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanamido)-6-oxo-6-(4-(pyridin-4-yl)piperazin-1-yl)hexyl)carbamate
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 150 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 867
관련 반응
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