기본 정보
- CAS
126088-82-2- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1- InChIKey
ZFZOHFAASQHWER-YPKYBTACSA-N- 분자식
- C38H43N5O8
- 평균 분자량
- 697.8 g/mol
- 단동위원소 질량
- 697.31116334
개요
potent substance P antagonist
이름 및 식별자
- 우선 이름
- N(alpha)-(N(alpha)-(N(alpha)-(tert-butyloxycarbonyl)glutaminyl)-N(1)-formyl-tryptophyl)phenylalanine benzyl ester
- IUPAC
- benzyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-phenylpropanoate
- 현지명
- N(알파)-(N(알파)-(N(알파)-(tert-부틸옥시카보닐)글루타미닐)-N(1)-포르밀-트립토필)페닐알라닌벤질에스테르
- 영어명
- N(alpha)-(N(alpha)-(N(alpha)-(tert-butyloxycarbonyl)glutaminyl)-N(1)-formyl-tryptophyl)phenylalanine benzyl ester
- 분자식
- C38H43N5O8
- 분자량
- 697.78
이름 및 동의어
Bgtcpo126088-82-2Boc-gln-trp(cho)-phe-obzlDTXSID10155075N(alpha)-(N(alpha)-(N(alpha)-(tert-Butyloxycarbonyl)glutaminyl)-N(1)-formyl-tryptophyl)phenylalanine benzyl esterRefChem:160805DTXCID0077566QWF Peptidebenzyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-3-phenylpropanoateCHEMBL59915N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutaminyl-1-formyl-D-tryptophyl-L-phenylalanine phenylmethyl esterQWF
이름 더 보기
N(알파)-(N(알파)-(N(알파)-(tert-부틸옥시카보닐)글루타미닐)-N(1)-포르밀-트립토필)페닐알라닌벤질에스테르L-Phenylalanine, N2-[(1,1-dimethylethoxy)carbonyl]-L-glutaminyl-1-formyl-D-tryptophyl-, phenylmethyl ester
N(alpha)-(N(alpha)-(N(alpha)-(tert-butyloxycarbonyl)glutaminyl)-N(1)-formyl-tryptophyl)phenylalanineorb1679405Boc-Gln-D-Trp(CHO)-Phe-OBzlZFZOHFAASQHWER-YPKYBTACSA-NBDBM50002533TP1946DA-57316N-(N-(N2-((1,1-Dimethylethoxy)carbonyl)-L-glutaminyl)-1-formyl-D-tryptophyl)-L-phenylalanine phenylmethyl ester
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 188 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,200
물리화학적 성질
- 밀도
- 1.269 · 1.269±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 11.16 · 11.160±0.46(predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사17 곳
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江西辐氨生物技术有限公司15002819872 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
浙江杰坤生物科技有限公司15397062932 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+8617355064950 · [email protected]
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