기본 정보
- CAS
913556-62-4- 표준 SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(=NN)[nH]c2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O- InChIKey
WJBPMDZACHSXSD-HLAGHTPDSA-N- 분자식
- C55H71N13O12S2
- 평균 분자량
- 1,170.4 g/mol
- 단동위원소 질량
- 1,169.4786571
이름 및 식별자
- 우선 이름
- Hynic-toc
- IUPAC
- (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-19-[[(2R)-2-[(6-hydrazinylpyridine-3-carbonyl)amino]-3-phenylpropanoyl]amino]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- 영어명
- HYNIC-TOC trifluoroacetate
- 분자식
- C55H71N13O12S2
- 분자량
- 1170.37
이름 및 동의어
Hynic-tocXBO8UII5SVHydrazinonicotinyl-Tyr3-octreotideUNII-XBO8UII5SV913556-62-4N-((6-Hydrazinyl-3-pyridinyl)carbonyl)-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2->7)-disulfideorb2647040SCHEMBL29475771HY-P10232Hynic-toc（TFA）HYNIC-TOC trifluoroacetate913556-62-4/257943-19-4（TFA）
이름 더 보기
L-Cysteinamide, N-[(6-hydrazinyl-3-pyridinyl)carbonyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl]-, cyclic (2→7)-disulfide(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)Methyl)-10-(4-aminobutyl)-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-19-((R)-2-((E)-6-hydrazono-1,6-dihydropyridine-3-carboxamido)-3-phenylpropanamido)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide
데이터베이스 식별자
- CAS
913556-62-4- PubChem CID
- 137331866
- UNII
- XBO8UII5SV
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 457 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 82
- 형식 전하
- 0
- 복잡도
- 2,090
물리화학적 성질
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.9 · 9.90±0.15(Predicted)
화학 및 산업
공급사18 곳
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
康明永瑞生物科技（苏州）有限公司17751201929; 17751201929 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
杭州贝普泰生物医药有限公司0571-85350119 13305819357 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
杭州固拓生物科技有限公司0571-88211921 17357109671 · [email protected]
成都云希化工有限公司+86-17380623303 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
江西辐氨生物技术有限公司15002819872 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
南京源肽生物科技有限公司13357818155 · [email protected]
江西研肽生物医药科技有限公司13758194781; 13758194781 · [email protected]
杭州拜格医药科技有限公司0571-85350119 15888826472 · [email protected]
南昌探真生物技术有限公司13758194781 13173652190 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…