기본 정보
- CAS
1426173-74-1- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O- InChIKey
BLCLNMBMMGCOAS-JRAHOCOPSA-N- 분자식
- C59H84N18O14
- 평균 분자량
- 1,269.4 g/mol
- 단동위원소 질량
- 1,268.64143943
이름 및 식별자
- 우선 이름
- (D-Tyr5,D-Ser(tBu)6,Azagly10)-LHRH
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
- 영어명
- (D-TYR5)-GOSERELIN
- 분자식
- C59H84N18O14
- 분자량
- 1269.41
이름 및 동의어
(D-Tyr5,D-Ser(tBu)6,Azagly10)-LHRH1426173-74-1(D-Tyr5,D-Ser(tBu)6,Azagly10)-LHRH Pyr-His-Trp-Ser-D-Tyr-D-Ser(tBu)-Leu-Arg-Pro-Azagly-NH2Goserelin EP Impurity FMFCD05663473Goserelin Impurity N36orb1980823HY-P4577DA-59566FT109600CS-0655313T76620
이름 더 보기
800009F(D-TYR5)-GOSERELIN(D-Tyr?,D-Ser(tBu)?,Azagly??)-LHRHGoserelin Impurity 6 （Goserelin EP Impurity F)Goserelin - Impurity F [5-D-Tyrosine]goserelin(D-TYR5,D-SER(TBU)6,AZAGLY10)-GONADOTROPIN-RELEASING HORMONE(D-TYR5,D-SER(TBU)6,AZAGLY10)-LUTEINIZING HORMONE-RELEASING FACTOR
Pyr-His-Trp-Ser-D-Tyr-D-Ser(tBu)-Leu-Arg-Pro-Azagly-NH2(S)-N-((6S,9S,12R,15R,18S,21S,24S)-21-((1H-indol-3-yl)methyl)-1-amino-12-(tert-butoxymethyl)-6-((S)-2-(2-carbamoylhydrazine-1-carbonyl)pyrrolidine-1-carbonyl)-15-(4-hydroxybenzyl)-18-(hydroxymethyl)-25-(1H-imidazol-4-yl)-1-imino-9-isobutyl-8,11,14,17,20,23-hexaoxo-2,7,10,13,16,19,22-heptaazapentacosan-24-yl)-5-oxopyrrolidine-2-carboxamide
데이터베이스 식별자
- CAS
1426173-74-1- PubChem CID
- 131698125
물성
구조 계산 물성
- XLogP
- -1.5
- 극성 표면적
- 496 Ų
- 수소 결합 공여자 수
- 17
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 32
- 무거운 원자 수
- 91
- 형식 전하
- 0
- 복잡도
- 2,560
물리화학적 성질
- 저장 조건
- -15 °C · -15°C
- InChIKey
- BLCLNMBMMGCOAS-JRAHOCOPSA-N
화학 및 산업
공급사32 곳
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