기본 정보
- CAS
137908-73-7- 표준 SMILES
CSCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CSC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C- InChIKey
WATQXYHVKWACLE-XACTVAOOSA-N- 분자식
- C92H149N25O26S2
- 평균 분자량
- 2,085.5 g/mol
- 단동위원소 질량
- 2,084.0547023
개요
amino acid sequence given in first source; Arg is replaced by Cys at position 18; a synthetic antigenic fragment
이름 및 식별자
- 우선 이름
- calcitonin gene-related peptide (19-37), t-butyl-Cys(18)-
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2R)-2-amino-3-tert-butylsulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]butanediamide
- 현지명
- 칼시토닌유전자관련펩타이드(19-37),t-부틸-Cys(18)-
- 영어명
- calcitonin gene-related peptide (19-37), t-butyl-Cys(18)-
- 분자식
- C92H149N25O26S2
- 분자량
- 2085.46
이름 및 동의어
137908-73-7t-Butyl-cys(18)-cgrp (19-37)Betacgrp (19-37), t-butyl-cys(18)-DTXSID30160388RefChem:122741DTXCID9082879S-tert-Butyl-L-cysteinyl-L-serylglycylglycyl-L-methionyl-L-valyl-L-lysyl-L-seryl-L-asparaginyl-L-phenylalanyl-L-valyl-L-prolyl-L-threonyl-L-asparaginyl-L-valylglycyl-L-seryl-L-lysyl-L-alanyl-L-phenylalaninamide칼시토닌유전자관련펩타이드(19-37),t-부틸-Cys(18)-calcitonin gene-related peptide (19-37), t-butyl-Cys(18)-L-Phenylalaninamide, S-(1,1-dimethylethyl)-L-cysteinyl-L-serylglycylglycyl-L-methionyl-L-valyl-L-lysyl-L-seryl-L-asparaginyl-L-phenylalanyl-L-valyl-L-prolyl-L-threonyl-L-asparaginyl-L-valylglycyl-L-seryl-L-lysyl-L-alanyl- (9CI)
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -6.4
- 극성 표면적
- 883 Ų
- 수소 결합 공여자 수
- 28
- 수소 결합 수용자 수
- 31
- 회전 가능 결합 수
- 67
- 무거운 원자 수
- 145
- 형식 전하
- 0
- 복잡도
- 4,330
물리화학적 성질
- 끓는 점
- 2256.1 · 2256.1±65.0 °C(Predicted)
- 밀도
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.73 · 12.73±0.46(Predicted)
화학 및 산업
공급사4 곳
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
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