N-(N-Acetyl-alpha-muramoyl)-L-alanyl-D-gamma-glutamyl-erythro-6-carboxy-N6-glycyllysyl-D-alanyl-D-alanine, 1'->p'-ester with uridine 5'-(trihydrogen diphosphate)
기본 정보
- CAS
120010-32-4- 표준 SMILES
CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC(NC(=O)CN)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O- InChIKey
VTJREARKEOUCBY-DJFZRSPDSA-N- 분자식
- C43H68N10O29P2
- 평균 분자량
- 1,251 g/mol
- 단동위원소 질량
- 1,250.36289017
이름 및 식별자
- 우선 이름
- N-(N-Acetyl-alpha-muramoyl)-L-alanyl-D-gamma-glutamyl-erythro-6-carboxy-N6-glycyllysyl-D-alanyl-D-alanine, 1'->p'-ester with uridine 5'-(trihydrogen diphosphate)
- IUPAC
- (6S)-6-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-[(2-aminoacetyl)amino]-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
이름 및 동의어
Park nucleotide [MI]UNII-4GLG63A60A4GLG63A60A120010-32-4D-Alanine, N-(N-acetyl-alpha-muramoyl)-L-alanyl-D-gamma-glutamyl-erythro-6-carboxy-N6-glycyllysyl-D-alanyl-, 1'->p'-ester with uridine 5'-(trihydrogen diphosphate)N-(N-Acetyl-alpha-muramoyl)-L-alanyl-D-gamma-glutamyl-erythro-6-carboxy-N6-glycyllysyl-D-alanyl-D-alanine, 1'->p'-ester with uridine 5'-(trihydrogen diphosphate)Q272595681'->p'-ester with uridine 5'-(trihydrogen diphosphate)N-(N-acetyl-alpha-muramoyl)-L-alanyl-D-gamma-glutamyl-erythro-6-carboxy-N6-glycyllysyl-D-alanyl-D-alanineD-ALANINE, N-(N-ACETYL-.ALPHA.-MURAMOYL)-L-ALANYL-D-.GAMMA.-GLUTAMYL-ERYTHRO-6-CARBOXY-N6-GLYCYLLYSYL-D-ALANYL-, 1'->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE)N-(N-ACETYL-.ALPHA.-MURAMOYL)-L-ALANYL-D-.GAMMA.-GLUTAMYL-ERYTHRO-6-CARBOXY-N6-GLYCYLLYSYL-D-ALANYL-D-ALANINE, 1'->P'-ESTER WITH URIDINE 5'-(TRIHYDROGEN DIPHOSPHATE)
데이터베이스 식별자
- CAS
120010-32-4
물성
구조 계산 물성
- XLogP
- -11.4
- 극성 표면적
- 602 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 30
- 회전 가능 결합 수
- 33
- 무거운 원자 수
- 84
- 형식 전하
- 0
- 복잡도
- 2,580
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