기본 정보
- CAS
138248-87-0- 표준 SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)NC(=O)[C@@H](N)Cc1ccc2ccccc2c1- InChIKey
ZATHVQJWEVRQPD-DMUMTTGNSA-N- 분자식
- C58H71N11O10S2
- 평균 분자량
- 1,146.4 g/mol
- 단동위원소 질량
- 1,145.48267947
개요
an octapeptide analog of somatostatin with high biological activity
이름 및 식별자
- 우선 이름
- phenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-N-naphthylalanine amide
- IUPAC
- (2S)-6-amino-N-[(2S,3R)-1-[[(2R)-1-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
- 현지명
- 페닐알라닐-시스테이닐-티로실-트립토필-리실-트레오닐-시스테이닐-N-나프틸알라닌아미드
- 영어명
- phenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-N-naphthylalanine amide
- 분자식
- C58H69N11O10S2
- 분자량
- 1144.37
이름 및 동의어
Cyclo SS-8Cyclo-SS-8138248-87-0Phenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-N-naphthylalanine amidePhe-cys-tyr-trp-lys-thr-cys-nal-NH2Phe-cys-tyr-trp-lys-thr-cys-naphthyl-ala-NH2DTXSID20160554RefChem:173017DTXCID5083045SCHEMBL30462105D-Phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-3-(2-naphthalenyl)-DL-alaninamide cyclic(2-7)-disulfideD-Phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(2S)-2-amino-3-(naphthalen-2-yl)propanoyl]-L-cysteinamide
이름 더 보기
페닐알라닐-시스테이닐-티로실-트립토필-리실-트레오닐-시스테이닐-N-나프틸알라닌아미드
DL-Alaninamide, D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-3-(2-naphthalenyl)-, cyclic(2-7)-disulfide
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 357 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 29
- 무거운 원자 수
- 81
- 형식 전하
- 0
- 복잡도
- 2,070
물리화학적 성질
- 끓는 점
- 1552.952 · 1552.952±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.42 · 1.420±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 9.901 · 9.901±0.15(predicted)
관련 반응
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