기본 정보
- CAS
77910-00-0- 표준 SMILES
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O- InChIKey
GGYTXJNZMFRSLX-OLZXUOIGSA-N- 분자식
- C137H207N41O39S3
- 평균 분자량
- 3,148.6 g/mol
- 단동위원소 질량
- 3,146.4636994
개요
RN given refers to sheep (D)-Trp isomer
이름 및 식별자
- 우선 이름
- somatostatin 28, Trp(22)-
- IUPAC
- (4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34S,37R)-37-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
- 현지명
- 소마토스타틴28,Trp(22)-
- 영어명
- somatostatin 28, Trp(22)-
- 분자식
- C137H207N41O39S3
- 분자량
- 3148.55578
이름 및 동의어
22-Trp-somatostatin 28Somatostatin 28, trp(22)-22-Tryptophan-somatostatin 28Somatostatin 28, tryptophan(22)-77910-00-0RefChem:184275L-Cysteine, L-seryl-L-alanyl-L-asparaginyl-L-seryl-L-asparaginyl-L-prolyl-L-alanyl-L-methionyl-L-alanyl-L-prolyl-L-arginyl-L-alpha-glutamyl-L-arginyl-L-lysyl-L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-, cyclic(17-28)-disulfideL-Seryl-L-alanyl-L-asparaginyl-L-seryl-L-asparaginyl-L-prolyl-L-alanyl-L-methionyl-L-alanyl-L-prolyl-L-arginyl-L-alpha-glutamyl-L-arginyl-L-lysyl-L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-cysteine cyclic(17-28)-disulfide
물성
구조 계산 물성
- XLogP
- -15.2
- 극성 표면적
- 1,390 Ų
- 수소 결합 공여자 수
- 46
- 수소 결합 수용자 수
- 48
- 회전 가능 결합 수
- 78
- 무거운 원자 수
- 220
- 형식 전하
- 0
- 복잡도
- 7,210
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