D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-3-(3-pyridinyl)-D-alanyl-4-chloro-D-phenylalanyl-L-seryl-L-arginyl-5-(4-methoxyphenyl)-5-oxo-D-norvalyl-L-leucyl-L-arginyl-L-prolyl-
기본 정보
- CAS
112602-63-8- 표준 SMILES
COc1ccc(C(=O)CC[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1- InChIKey
CJYBENVAJFXMJX-YKJOSNDESA-N- 분자식
- C73H97ClN18O14
- 평균 분자량
- 1,486.1 g/mol
- 단동위원소 질량
- 1,484.7120175
이름 및 식별자
- 우선 이름
- D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-3-(3-pyridinyl)-D-alanyl-4-chloro-D-phenylalanyl-L-seryl-L-arginyl-5-(4-methoxyphenyl)-5-oxo-D-norvalyl-L-leucyl-L-arginyl-L-prolyl-
- IUPAC
- (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
이름 및 동의어
UNII-F0ZTQ9477OF0ZTQ9477O112602-63-8D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-3-(3-pyridinyl)-D-alanyl-4-chloro-D-phenylalanyl-L-seryl-L-arginyl-5-(4-methoxyphenyl)-5-oxo-D-norvalyl-L-leucyl-L-arginyl-L-prolyl-N-acetyl-3-(2-naphthalenyl)-D-alanyl-3-(3-pyridinyl)-D-alanyl-4-chloro-D-phenylalanyl-L-seryl-L-arginyl-5-(4-methoxyphenyl)-5-oxo-D-norvalyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamideQ27277489
데이터베이스 식별자
- CAS
112602-63-8- PubChem CID
- 72941650
- UNII
- F0ZTQ9477O
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 509 Ų
- 수소 결합 공여자 수
- 17
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 43
- 무거운 원자 수
- 106
- 형식 전하
- 0
- 복잡도
- 2,970
관련 반응
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