Apidaecin Ia
기본 정보
- CAS
123081-48-1- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)O- InChIKey
DOHIZXBJKLFYHI-BVJPZTDTSA-N- 분자식
- C95H150N32O23
- 평균 분자량
- 2,108.4 g/mol
- 단동위원소 질량
- 2,107.1551592
이름 및 식별자
- 우선 이름
- Apidaecin Ia
- IUPAC
- (2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoic acid
- 영어명
- L-Isoleucine, glycyl-L-asparaginyl-L-asparaginyl-L-arginyl-L-prolyl-L-valyl-L-tyrosyl-L-isoleucyl-L-prolyl-L-glutaminyl-L-prolyl-L-arginyl-L-prolyl-L-prolyl-L-histidyl-L-prolyl-L-arginyl-
- 분자식
- C95H150N32O23
- 분자량
- 2108.41
이름 및 동의어
Apidaecin Ia123081-48-1RefChem:916038Apidaecin HbIa (honey bee)L-Isoleucine, glycyl-L-asparaginyl-L-asparaginyl-L-arginyl-L-prolyl-L-valyl-L-tyrosyl-L-isoleucyl-L-prolyl-L-glutaminyl-L-prolyl-L-arginyl-L-prolyl-L-prolyl-L-histidyl-L-prolyl-L-arginyl-orb2277080CHEMBL1240713SCHEMBL29458103DA-70989T80401
데이터베이스 식별자
- CAS
123081-48-1- PubChem CID
- 52948012
- ChEMBL
CHEMBL1240713
물성
구조 계산 물성
- XLogP
- -7.9
- 극성 표면적
- 869 Ų
- 수소 결합 공여자 수
- 27
- 수소 결합 수용자 수
- 28
- 회전 가능 결합 수
- 60
- 무거운 원자 수
- 150
- 형식 전하
- 0
- 복잡도
- 4,820
물리화학적 성질
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
관련 반응
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