기본 정보
- CAS
122548-04-3- 표준 SMILES
C[C@@H](O)[C@H](N)C(=O)N(C(=O)[C@H](Cc1cnc[nH]1)N/C=C\c1c[nH]c2cc(Br)ccc12)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1- InChIKey
BKVOSGATHVEBKD-QAUSRGLSSA-N- 분자식
- C29H32BrN7O6
- 평균 분자량
- 654.5 g/mol
- 단동위원소 질량
- 653.15974
개요
halocyamine B has been reported in Halocynthia roretzi with data available.
이름 및 식별자
- 우선 이름
- Halocyamine B
- IUPAC
- (2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamide
- 현지명
- 할로시아민B
- 영어명
- halocyamine B
- 분자식
- C29H32BrN7O6
- 분자량
- 654.51
이름 및 동의어
Halocyamine B122548-04-3(2S,3R)-2-amino-N-[(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-N-[(2S)-2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-3-(1H-imidazol-5-yl)propanoyl]-3-hydroxybutanamideThreonyl-6,7-dihydroxyphenylalanyl-histidyl-6-bromo-8,9-didehydrotryptamine(2S,3R)-2-amino-N-((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoyl)-N-((2S)-2-(((Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)amino)-3-(1H-imidazol-5-yl)propanoyl)-3-hydroxybutanamideRefChem:1450862-amino-N-(1-((1-(((Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)amino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)amino)-3-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl)-3-hydroxybutanamideL-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-((1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl)-L-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-(2-(6-bromo-1H-indol-3-yl)ethenyl)-, (Z)-할로시아민BL-Histidinamide, L-threonyl-3-hydroxy-L-tyrosyl-N-[(1Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]- (9CI)
데이터베이스 식별자
- CAS
122548-04-3
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 224 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,010
화학 및 산업
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