AC-625
기본 정보
- CAS
163860-09-1- 표준 SMILES
CC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=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)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O- InChIKey
SAEXTVLMEQSNGR-DSJHOCTJSA-N- 분자식
- C125H204N40O40
- 평균 분자량
- 2,907.2 g/mol
- 단동위원소 질량
- 2,905.5158514
이름 및 식별자
- 우선 이름
- AC-625
- IUPAC
- (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
이름 및 동의어
Y364EN7XZFAC625AC-625163860-09-1Ac-Ala-Thr-Gln-Arg-Leu-Ala-Asn-Glu-Leu-Val-Arg-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asn-Val-Gly-Ser-Asn-Thr-Tyr-NH2N-ACETYL-L-ALANYL-L-THREONYL-L-GLUTAMINYL-L-ARGINYL-L-LEUCYL-L-ALANYL-L-ASPARAGINYL-L-.ALPHA.-GLUTAMYL-L-LEUCYL-L-VALYL-L-ARGINYL-L-LEUCYL-L-GLUTAMINYL-L-THREONYL-L-TYROSYL-L-PROLYL-L-ARGINYL-L-THREONYL-L-ASPARAGINYL-L-VALYLGLYCYL-L-SERYL-L-ASPARAGINYL-L-THREONYL-L-TYROSINAMIDERefChem:108635N-ACETYL-L-ALANYL-L-THREONYL-L-GLUTAMINYL-L-ARGINYL-L-LEUCYL-L-ALANYL-L-ASPARAGINYL-L-ALPHA-GLUTAMYL-L-LEUCYL-L-VALYL-L-ARGINYL-L-LEUCYL-L-GLUTAMINYL-L-THREONYL-L-TYROSYL-L-PROLYL-L-ARGINYL-L-THREONYL-L-ASPARAGINYL-L-VALYLGLYCYL-L-SERYL-L-ASPARAGINYL-L-THREONYL-L-TYROSINAMIDEUNII-Y364EN7XZFSCHEMBL29404705
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -12.3
- 극성 표면적
- 1,340 Ų
- 수소 결합 공여자 수
- 47
- 수소 결합 수용자 수
- 43
- 회전 가능 결합 수
- 96
- 무거운 원자 수
- 205
- 형식 전하
- 0
- 복잡도
- 6,770
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