기본 정보
- CAS
160824-57-7- 표준 SMILES
CC(=O)NC(Cc1ccccc1)C(=O)NC(C)(C)C(=O)NC(CO)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NCC(CO)c1c[nH]c2ccccc12- InChIKey
BAGYQQLODXTDCV-UHFFFAOYSA-N- 분자식
- C89H140N22O23
- 평균 분자량
- 1,886.2 g/mol
- 단동위원소 질량
- 1,885.0461688
이름 및 식별자
- 우선 이름
- Ac-DL-Phe-Aib-DL-Ser-Aib-Aib-DL-Leu-DL-Gln-Gly-Aib-Aib-DL-Ala-DL-Ala-Aib-Aib-Aib-Aib-Aib-DL-Gln-bAla(2-indol-3-yl)-ol
- IUPAC
- 2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-phenylpropanoyl)amino]-2-methylpropanoyl]amino]-3-hydroxypropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[5-amino-1-[[3-hydroxy-2-(1H-indol-3-yl)propyl]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
- 영어명
- chrysospermin A
- 분자식
- C89H140N22O23
- 분자량
- 1886.23
이름 및 동의어
orb3024333TN10588chrysospermin AL-Glutamamide, N-acetyl-L-phenylalanyl-2-methylalanyl-L-seryl-2-methylalanyl-2-methylalanyl-L-leucyl-L-glutaminylglycyl-2-methylalanyl-2-methylalanyl-L-alanyl-L-alanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-2-methylalanyl-N1-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-
데이터베이스 식별자
- CAS
160824-57-7- PubChem CID
- 163103457
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 695 Ų
- 수소 결합 공여자 수
- 24
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 51
- 무거운 원자 수
- 134
- 형식 전하
- 0
- 복잡도
- 4,300
물리화학적 성질
- 끓는 점
- 2093.2 · 2093.2±65.0 °C(Predicted)
- 밀도
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12 · 12+-.0.46(Predicted)
화학 및 산업
공급사1 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…