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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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H-Val-Asp-Cys-Ser-Gly-Ala-Cys-Ser-Pro-Phe-Glu-Val-Pro-Pro-Cys-Gly-Ser-Arg-Asp-Cys-Arg-Cys-Ile-Pro-Ile-Gly-Leu-Val-Val-Gly-Phe-Cys-Ile-Tyr-Pro-Thr-Gly-OH

HCID 178965844
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인쇄 미리보기
기본 정보이름 및 식별자물성관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O
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InChIKey
PIGUBSCMHDOFOS-CUXBNDPISA-N
분자식
C165H257N43O49S6
평균 분자량
3,819 g/mol
단동위원소 질량
3,816.7264576

이름 및 식별자

우선 이름
H-Val-Asp-Cys-Ser-Gly-Ala-Cys-Ser-Pro-Phe-Glu-Val-Pro-Pro-Cys-Gly-Ser-Arg-Asp-Cys-Arg-Cys-Ile-Pro-Ile-Gly-Leu-Val-Val-Gly-Phe-Cys-Ile-Tyr-Pro-Thr-Gly-OH
IUPAC
(4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-carbamimidamido-1-[[(2R)-1-[[(2S,3S)-1-[(2S)-2-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-(carboxymethylamino)-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

이름 및 동의어

CHEMBL4449517

데이터베이스 식별자

ChEMBL
CHEMBL4449517

물성

구조 계산 물성

XLogP
-7.2
극성 표면적
1,410 Ų
수소 결합 공여자 수
53
수소 결합 수용자 수
58
회전 가능 결합 수
113
무거운 원자 수
263
형식 전하
0
복잡도
9,040

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