기본 정보
- CAS
1610413-97-2- 표준 SMILES
CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)NCc1ccc(CC(=O)O)cc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
IMNLHBFYVLUOKM-DQEYMECFSA-N- 분자식
- C34H54N4O10
- 평균 분자량
- 678.8 g/mol
- 단동위원소 질량
- 678.38399393
이름 및 식별자
- 우선 이름
- 2-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acid
- IUPAC
- 2-[4-[[[(5S)-5-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]carbamoylamino]methyl]phenyl]acetic acid
- 영어명
- 2-(4-((9S,13S)-9,13-Bis(Tert-Butoxycarbonyl)-18,18-Dimethyl-3,11,16-Trioxo-17-Oxa-2,4,10,12-Tetraazanonadecyl)Phenyl)Acetic Acid
- 분자식
- C34H54N4O10
- 분자량
- 678.81
이름 및 동의어
1610413-97-22-(4-((9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl)phenyl)acetic acidMFCD28987368Boc-C2-Urea-bis(Boc)-C4-Urea-4-phenylacetic acidL-Glutamic acid, N-[[[(1S)-5-[[[[[4-(carboxymethyl)phenyl]methyl]amino]carbonyl]amino]-1-[(1,1-dimethylethoxy)carbonyl]pentyl]amino]carbonyl]-, 1,5-bis(1,1-dimethylethyl) ester2-[4-[[[(5S)-5-[[(2S)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-6-[(2-methylpropan-2-yl)oxy]-6-oxohexyl]carbamoylamino]methyl]phenyl]acetic acid2-[4-[(9S,13S)-9,13-Bis(tert-butoxycarbonyl)-18,18-dimethyl-3,11,16-trioxo-17-oxa-2,4,10,12-tetraazanonadecyl]phenyl]acetic Acidorb1218704orb1298520SCHEMBL17191794WLZ374913-Bis(Tert-Butoxycarbonyl)-18
이름 더 보기
PSMA-ligand-1PSMA-ligand-1、tert-Butyl-DCL (PSMA inhibitor)MFCD28987368,ADC Linkers,inhibit,MFCD-28987368,Antibody-drug conjugates linkers,Inhibitor
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 198 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,080
물리화학적 성질
- 끓는 점
- 837.7 · 837.7±65.0 °C(Predicted)
- 밀도
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.34 · 4.34±0.10(Predicted)
- InChIKey
- IMNLHBFYVLUOKM-DQEYMECFSA-N
- SMILES
- C(OC(C)(C)C)(=O)[C@H](CCC(OC(C)(C)C)=O)NC(N[C@H](C(OC(C)(C)C)=O)CCCCNC(NCC1=CC=C(CC(O)=O)C=C1)=O)=O
화학 및 산업
공급사42 곳
苏州健华制药有限公司13666392288 · [email protected]
上海波以尔化工有限公司[email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
广州凯途化学有限公司18933936954 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
武汉翱联生物科技有限公司15841022315 15841022315 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
武汉翱飞科技有限公司15841022315 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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