N-[(3-히드록시-2-피리디닐)카르보닐]-L-Thr-D-Abu-L-프롤릴-N-메틸-L-Phe-4-옥소-L-피페콜로일-L-페닐Gly-OMe
methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S,3R)-3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]-4-oxopiperidine-2-carbonyl]amino]-2-phenylacetate
기본 정보
- CAS
36261-12-8- 표준 SMILES
CC[C@@H](NC(=O)[C@@H](NC(=O)c1ncccc1O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)C[C@H]1C(=O)N[C@H](C(=O)OC)c1ccccc1- InChIKey
SSNKWVKDKISGDX-LGUJKMQOSA-N- 분자식
- C44H53N7O11
- 평균 분자량
- 855.9 g/mol
이름 및 식별자
- 우선 이름
- methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S,3R)-3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]-4-oxopiperidine-2-carbonyl]amino]-2-phenylacetate
- IUPAC
- methyl (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S,3R)-3-hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]-4-oxopiperidine-2-carbonyl]amino]-2-phenylacetate
- 현지명
- N-[(3-히드록시-2-피리디닐)카르보닐]-L-Thr-D-Abu-L-프롤릴-N-메틸-L-Phe-4-옥소-L-피페콜로일-L-페닐Gly-OMe
- 영어명
- N-[(3-Hydroxy-2-pyridinyl)carbonyl]-L-Thr-D-Abu-L-prolyl-N-methyl-L-Phe-4-oxo-L-pipecoloyl-L-phenyl Gly-OMe
- 분자식
- C44H53N7O11
- 분자량
- 855.93192
이름 및 동의어
N-[(3-히드록시-2-피리디닐)카르보닐]-L-Thr-D-Abu-L-프롤릴-N-메틸-L-Phe-4-옥소-L-피페콜로일-L-페닐Gly-OMeStaphylomycin S acid methyl esterN-[(3-Hydroxy-2-pyridinyl)carbonyl]-L-Thr-D-Abu-L-prolyl-N-methyl-L-Phe-4-oxo-L-pipecoloyl-L-phenyl Gly-OMeGlycine, N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl-(2R)-2-aminobutanoyl-L-prolyl-N-methyl-L-phenylalanyl-(2S)-4-oxo-2-piperidinecarbonyl-2-phenyl-, methyl ester, (2S)- (9CI)
데이터베이스 식별자
- CAS
36261-12-8- Nikkaji
- J142.356H
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 245 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,620
물리화학적 성질
- 끓는 점
- 1155.8 · 1155.8±65.0 °C(Predicted)
- 밀도
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.59 · 3.59±0.35(Predicted)
관련 반응
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