기본 정보
- CAS
151812-20-3- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(N)=O- InChIKey
PEDXAQWKKDRGQL-RKKUXNHQSA-N- 분자식
- C65H98N16O17
- 평균 분자량
- 1,375.6 g/mol
개요
Pyroglutamyl-seryl-valyl-prolyl-threonyl-phenylalanyl-threonyl-prolyl-arginyl-leucinamide has been reported in Locusta migratoria with data available.
이름 및 식별자
- 우선 이름
- Locustapyrokinin II
- IUPAC
- (2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
- 현지명
- 로커스타피로키닌II
- 영어명
- locustapyrokinin II
- 분자식
- C65H98N16O17
- 분자량
- 1375.57
이름 및 동의어
Locustapyrokinin II151812-20-3Pyroglutamyl-seryl-valyl-prolyl-threonyl-phenylalanyl-threonyl-prolyl-arginyl-leucinamidePglu-ser-val-pro-thr-phe-thr-pro-arg-leu-NH2RefChem:153924(2S)-N-((2S)-1-(((2S)-1-((2S)-2-(((2S,3R)-1-(((2S)-1-(((2S,3R)-1-(((2S)-1-(((2S,3R)-1-((2S)-2-(((2S)-1-(((2S)-1-amino-4-methyl-1-oxopentan-2-yl)amino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamideorb1983645로커스타피로키닌IIL-Leucinamide, 5-oxo-L-prolyl-L-seryl-L-valyl-L-prolyl-L-threonyl-L-phenylalanyl-L-threonyl-L-phenylalanyl-L-threonyl-L-prolyl-L-arginyl-
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -2.2
- 극성 표면적
- 520 Ų
- 수소 결합 공여자 수
- 17
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 36
- 무거운 원자 수
- 98
- 형식 전하
- 0
- 복잡도
- 2,810
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