5-[2-[[(4S)-4-amino-5-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]naphthalene-1-sulfonic acid
기본 정보
- CAS
1926163-42-9- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(N)=O- InChIKey
PICIJFXRVFBIHA-OXWHXMHOSA-N- 분자식
- C88H124N22O15S
- 평균 분자량
- 1,762.1 g/mol
이름 및 식별자
- 우선 이름
- 5-[2-[[(4S)-4-amino-5-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]naphthalene-1-sulfonic acid
- IUPAC
- 5-[2-[[(4S)-4-amino-5-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-oxopentanoyl]amino]ethylamino]naphthalene-1-sulfonic acid
- 영어명
- H-Glu(EDANS)-Lys-Pro-Ala-Lys-Phe-Phe-Arg-Leu-Lys(DABCYL)-NH2
- 분자식
- C88H124N22O15S
- 분자량
- 1762.13
이름 및 동의어
H-Glu(EDANS)-Lys-Pro-Ala-Lys-Phe-Phe-Arg-Leu-Lys(DABCYL)-NH2H-Glu(EDANS)-Lys-Pro-Ala-Lys-Phe-Phe-Arg-Leu-Lys(DABCYL)-NH2 trifluoroacetate saltL-Lysinamide, N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]-L-glutaminyl-L-lysyl-L-prolyl-L-alanyl-L-lysyl-L-phenylalanyl-L-phenylalanyl-L-arginyl-L-leucyl-N6-[4-[2-[4-(dimethylamino)phenyl]diazenyl]benzoyl]-
데이터베이스 식별자
- CAS
1926163-42-9
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 597 Ų
- 수소 결합 공여자 수
- 19
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 54
- 무거운 원자 수
- 126
- 형식 전하
- 0
- 복잡도
- 3,610
물리화학적 성질
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.26 · -0.26±0.40(Predicted)
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