기본 정보
- CAS
1404072-04-3- 표준 SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)[C@H](C(=O)NC(=O)[C@H](C(C)C)N(C)C(=O)OC(C)(C)C)C(C)C- InChIKey
URGIZWJGJWVZKN-OGQDDLBLSA-N- 분자식
- C44H75N5O9
- 평균 분자량
- 818.1 g/mol
- 단동위원소 질량
- 817.55647899
이름 및 식별자
- 우선 이름
- tert-butyl N-[(2S)-1-[[(2S)-2-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methylbutanoyl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S)-2-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methylbutanoyl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
- 영어명
- L-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
- 분자식
- C44H75N5O9
- 분자량
- 818.09
이름 및 동의어
1404072-04-3AC-37446Boc-MMAEL-Valinamide, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-
데이터베이스 식별자
- CAS
1404072-04-3- PubChem CID
- 172868435
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,330
물리화학적 성질
- 끓는 점
- 920.3 · 920.3±65.0 °C(Predicted)
- 밀도
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.66 · 13.66±0.20(Predicted)
화학 및 산업
공급사3 곳
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
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