홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

곤충독소I5A

Insectotoxin I5A

HCID 129010989
노트반응
기본 정보개요이름 및 식별자물성관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
81858-93-7
표준 SMILES
CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O
InChIKey
YZAXHBMSHFCNLE-TYXLMDDBSA-N
분자식
C152H247N49O45S11
평균 분자량
3,834 g/mol
단동위원소 질량
3,830.5473499

개요

amino acid sequence has been determined; from Buthus eupeus

이름 및 식별자

우선 이름
Insectotoxin I5A
IUPAC
(3S)-4-[[(2R)-1-[[(2R)-1-[[2-[[2-[[(2S)-4-amino-1-[[2-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoic acid
현지명
곤충독소I5A
영어명
insectotoxin I5A
분자식
C152H247N49O45S11
분자량
3833.60388

이름 및 동의어

Insectotoxin I5AI5A Toxin81858-93-7RefChem:148394Insectotoxin I1 (Buthus eupeus reduced), 9-L-aspartic acid-11-L-asparagine-14-L-lysine-15-L-lysine-18-L-aspartic acid-21-glycine-23-L-asparagine-34-L-asparagine-35-L-argininamide-36-de-L-aspartic acid-곤충독소I5A

데이터베이스 식별자

CAS
81858-93-7
PubChem CID
129010989

물성

구조 계산 물성

XLogP
-20.5
극성 표면적
1,610 Ų
수소 결합 공여자 수
58
수소 결합 수용자 수
62
회전 가능 결합 수
126
무거운 원자 수
257
형식 전하
0
복잡도
8,680

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성관련 반응화합물 노트