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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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(3S)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acid

HCID 178608276
새 노트새 반응견적 요청하기
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기본 정보

CAS
887973-01-5
표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C
더보기
새 노트새 반응견적 요청하기
InChIKey
DVLGTRRGHJRVOR-NOULYIDWSA-N
분자식
C89H137N23O25S
평균 분자량
1,961.2 g/mol
단동위원소 질량
1,959.9876681

이름 및 식별자

우선 이름
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
IUPAC
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
영어명
L-Tyrosine, L-threonyl-L-α-aspartyl-L-seryl-L-arginyl-L-cysteinyl-L-valyl-L-isoleucylglycyl-L-leucyl-L-tyrosyl-L-histidyl-L-prolyl-L-prolyl-L-leucyl-L-glutaminyl-L-valyl-
분자식
C89H137N23O25S
분자량
1961.27

이름 및 동의어

TDSRCVIGLYHPPLQVYL-Tyrosine, L-threonyl-L-α-aspartyl-L-seryl-L-arginyl-L-cysteinyl-L-valyl-L-isoleucylglycyl-L-leucyl-L-tyrosyl-L-histidyl-L-prolyl-L-prolyl-L-leucyl-L-glutaminyl-L-valyl-

데이터베이스 식별자

CAS
887973-01-5
PubChem CID
171666719

물성

구조 계산 물성보충 중

XLogP
-3.3
극성 표면적
764 Ų
수소 결합 공여자 수
27
수소 결합 수용자 수
29
회전 가능 결합 수
58
무거운 원자 수
138
형식 전하
0
복잡도
4,160

물리화학적 성질

밀도
1.47 · 1.47±0.1 g/cm3(Predicted)
산도 계수 (pKa)
3.07 · 3.07±0.10(Predicted)

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