Solnatide
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기본 정보
- CAS
259206-53-6- 표준 SMILES
C[C@@H]1NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC1=O- InChIKey
LKVFMOMQYXIFRK-KSVAIKAXSA-N- 분자식
- C82H119N23O27S2
- 평균 분자량
- 1,923.1 g/mol
- 단동위원소 질량
- 1,921.808718
개요
Solnatide has been used in trials studying the treatment of Acute Lung Injury.
이름 및 식별자
- 우선 이름
- Solnatide
- IUPAC
- (3S,6S,9S,12S,18S,21S,27S,30S,33S,36S,42R,47R,50S,53S,56S)-42-amino-3-(4-aminobutyl)-36-(3-amino-3-oxopropyl)-33-(3-carbamimidamidopropyl)-9,18,30-tris(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-50-[(4-hydroxyphenyl)methyl]-53-(1H-indol-3-ylmethyl)-6,12-dimethyl-2,5,8,11,14,17,20,26,29,32,35,38,41,49,52,55-hexadecaoxo-44,45-dithia-1,4,7,10,13,16,19,25,28,31,34,37,40,48,51,54-hexadecazatricyclo[54.3.0.021,25]nonapentacontane-47-carboxylic acid
- 영어명
- L-Cysteine, L-cysteinylglycyl-L-glutaminyl-L-arginyl-L-α-glutamyl-L-threonyl-L-prolyl-L-α-glutamylglycyl-L-alanyl-L-α-glutamyl-L-alanyl-L-lysyl-L-prolyl-L-tryptophyl-L-tyrosyl-, cyclic (1→17)-disulfide
- 분자식
- C82H119N23O27S2
- 분자량
- 1923.1
이름 및 동의어
Solnatide259206-53-6AP-30117ZS80333GCys-gly-gln-arg-glu-thr-pro-glu-gly-ala-glu-ala-lys-pro-trp-tyr-cys cyclic (1->17)-disulfideL-Cysteine, L-cysteinylglycyl-L-glutaminyl-L-arginyl-L-alpha-glutamyl-L-threonyl-L-prolyl-L-alpha-glutamylglycyl-L-alanyl-L-alpha-glutamyl-L-alanyl-L-lysyl-L-prolyl-L-tryptophyl-L-tyrosyl-, cyclic (1->17)-disulfidesolnatidumSolnatidaRefChem:1098884AP301Solnatide [INN]TIP-peptide
이름 더 보기
L-Cysteine, L-cysteinylglycyl-L-glutaminyl-L-arginyl-L-α-glutamyl-L-threonyl-L-prolyl-L-α-glutamylglycyl-L-alanyl-L-α-glutamyl-L-alanyl-L-lysyl-L-prolyl-L-tryptophyl-L-tyrosyl-, cyclic (1→17)-disulfidL-Cysteine, L-cysteinylglycyl-L-glutaminyl-L-arginyl-L-α-glutamyl-L-threonyl-L-prolyl-L-α-glutamylglycyl-L-alanyl-L-α-glutamyl-L-alanyl-L-lysyl-L-prolyl-L-tryptophyl-L-tyrosyl-, cyclic (1→17)-disulfide
물성
구조 계산 물성보충 중
- XLogP
- -10.7
- 극성 표면적
- 861 Ų
- 수소 결합 공여자 수
- 27
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 134
- 형식 전하
- 0
- 복잡도
- 4,170
물리화학적 성질
- 밀도
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.95 · 2.95±0.70(Predicted)
- InChIKey
- LKVFMOMQYXIFRK-KSVAIKAXSA-N
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