[D-Asp3,Mser7]MC-HtyR
기본 정보
- 표준 SMILES
CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@@H]1N=C(O)[C@H](CCCNC(=N)N)N=C(O)C[C@H](C(=O)O)N=C(O)[C@H](CCc2ccc(O)cc2)N=C(O)[C@@H](C)N=C(O)[C@H](CO)N(C)C(=O)CC[C@H](C(=O)O)N=C(O)[C@H]1C- InChIKey
ULIJDDFJIHXKGH-RPENZYNSSA-N- 분자식
- C52H74N10O14
- 평균 분자량
- 1,063.2 g/mol
- 단동위원소 질량
- 1,062.53859705
개요
[D-Asp3,Mser7]MC-HtyR is a peptide.
이름 및 식별자
- 우선 이름
- [D-Asp3,Mser7]MC-HtyR
- IUPAC
- (2S,5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
이름 및 동의어
[D-Asp3,Mser7]MC-HtyRCHEBI:214401DTXSID001334747NS00114618(2S,5R,8S,11R,15S,18S,19S,22R)-15-(3-Carbamimidamidopropyl)-2-(hydroxymethyl)-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,19-trimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid(2S,5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-2-(hydroxymethyl)-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
데이터베이스 식별자
- DTXSID
DTXSID001334747- ChEBI
CHEBI:214401
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 384 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 76
- 형식 전하
- 0
- 복잡도
- 2,070
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
관련 반응
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