기본 정보
- CAS
162277-99-8- 표준 SMILES
CC[C@]1(C)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O- InChIKey
QWIZXUKSCAJBBY-NDJSDKDCSA-N- 분자식
- C45H65N13O11S2
- 평균 분자량
- 1,028.2 g/mol
- 단동위원소 질량
- 1,027.43679229
이름 및 식별자
- 우선 이름
- F-992
- IUPAC
- (2S,4R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-benzyl-9-ethyl-9-methyl-5,8,11,14,17-pentaoxo-12-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]-4-hydroxypyrrolidine-2-carboxamide
- 영어명
- Glycinamide, N-(4-mercapto-1-oxobutyl)-D-phenylalanyl-3-(2-thienyl)-L-alanyl-L-isovalyl-L-asparaginyl-L-cysteinyl-(4R)-4-hydroxy-L-prolyl-D-arginyl-, cyclic (1→5)-thioether
- 분자식
- C45H65N13O11S2
- 분자량
- 1028.21
이름 및 동의어
N39Q2H8V0BF-992162277-99-8UNII-N39Q2H8V0B(D-Phe2, THI3,a-me-abu4, HYP7, D-Arg8)-dc1-vasopressinGlycinamide, N-(4-mercapto-1-oxobutyl)-D-phenylalanyl-3-(2-thienyl)-L-alanyl-L-isovalyl-L-asparaginyl-L-cysteinyl-(4R)-4-hydroxy-L-prolyl-D-arginyl-, cyclic (1->5)-thioetherRefChem:139841F992DTXSID401026273HY-P0041DA-73287CS-0014970
이름 더 보기
Glycinamide, N-(4-mercapto-1-oxobutyl)-D-phenylalanyl-3-(2-thienyl)-L-alanyl-L-isovalyl-L-asparaginyl-L-cysteinyl-(4R)-4-hydroxy-L-prolyl-D-arginyl-, cyclic (1→5)-thioether
(2S,4R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15R)-6-(2-amino-2-oxoethyl)-15-benzyl-9-ethyl-9-methyl-5,8,11,14,17-pentaoxo-12-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]-4-hydroxypyrrolidine-2-carboxamideGlycinamide, N-(4-mercapto-1-oxobutyl)-D-phenylalanyl-3-(2-thienyl)-L-alanyl-L-isovalyl-L-asparaginyl-L-cysteinyl-(4R)-4-hydroxy-L-prolyl-D-arginyl-, cyclic (1a5)-thioether
물성
구조 계산 물성
- XLogP
- -2.7
- 극성 표면적
- 448 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 71
- 형식 전하
- 0
- 복잡도
- 1,960
물리화학적 성질
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- 산도 계수 (pKa)
- 13.08 · 13.08±0.70(Predicted)
화학 및 산업
공급사2 곳
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…