App-018
기본 정보
- CAS
452782-06-8- 표준 SMILES
CC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)C- InChIKey
ZKKBZMXTFBAQLP-INNXVHPBSA-N- 분자식
- C114H156N24O28
- 평균 분자량
- 2,310.6 g/mol
- 단동위원소 질량
- 2,309.1520904
이름 및 식별자
- 우선 이름
- App-018
- IUPAC
- (4R)-4-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-5-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
- 영어명
- D-Phenylalaninamide, N-acetyl-D-α-aspartyl-D-tryptophyl-D-phenylalanyl-D-lysyl-D-alanyl-D-phenylalanyl-D-tyrosyl-D-α-aspartyl-D-lysyl-D-valyl-D-alanyl-D-α-glutamyl-D-lysyl-D-phenylalanyl-D-lysyl-D-α-glutamyl-D-alanyl-
- 분자식
- C114H156N24O28
- 분자량
- 2310.6
이름 및 동의어
APP-018Z44M8U8Y9AUNII-Z44M8U8Y9A452782-06-8D-Phenylalaninamide, N-acetyl-D-alpha-aspartyl-D-tryptophyl-D-phenylalanyl-D-lysyl-D-alanyl-D-phenylalanyl-D-tyrosyl-D-alpha-aspartyl-D-lysyl-D-valyl-D-alanyl-D-alpha-glutamyl-D-lysyl-D-phenylalanyl-D-lysyl-D-alpha-glutamyl-D-alanyl-D-PHENYLALANINAMIDE, N-ACETYL-D-.ALPHA.-ASPARTYL-D-TRYPTOPHYL-D-PHENYLALANYL-D-LYSYL-D-ALANYL-D-PHENYLALANYL-D-TYROSYL-D-.ALPHA.-ASPARTYL-D-LYSYL-D-VALYL-D-ALANYL-D-.ALPHA.-GLUTAMYL-D-LYSYL-D-PHENYLALANYL-D-LYSYL-D-.ALPHA.-GLUTAMYL-D-ALANYL-RefChem:113502D-4Forb2813705SCHEMBL3647056EX-A13011TP2982
이름 더 보기
D-Phenylalaninamide, N-acetyl-D-α-aspartyl-D-tryptophyl-D-phenylalanyl-D-lysyl-D-alanyl-D-phenylalanyl-D-tyrosyl-D-α-aspartyl-D-lysyl-D-valyl-D-alanyl-D-α-glutamyl-D-lysyl-D-phenylalanyl-D-lysyl-D-α-glutamyl-D-alanyl-
물성
구조 계산 물성
- XLogP
- -8
- 극성 표면적
- 856 Ų
- 수소 결합 공여자 수
- 29
- 수소 결합 수용자 수
- 32
- 회전 가능 결합 수
- 75
- 무거운 원자 수
- 166
- 형식 전하
- 0
- 복잡도
- 4,970
물리화학적 성질
- 끓는 점
- 2350.4 · 2350.4±65.0 °C(Predicted)
- 밀도
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.19 · 4.19±0.10(Predicted)
관련 반응
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