Chemical Compound
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]propanoyl]amino]-4-carboxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-5-[[(1S)-2-[[(1S)-1-benzyl-2-[(2S)-2-[[(1S)-1-[[(1S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
CAS Registry Number
53917-42-3
Primary record
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]propanoyl]amino]-4-carboxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-5-[[(1S)-2-[[(1S)-1-benzyl-2-[(2S)-2-[[(1S)-1-[[(1S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- 库存
- 2,159 克
- 纯度
- 98.8 %
- CAS
- 53917-42-3
化合物标识与属性
- CAS
- 53917-42-3
- PubChem CID
- 176446302
- SMILES
- C[C@@H](C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CC(=O)O)C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CO)C(=N[C@@H](C)C(=N[C@@H](CCC(=O)O)C(=N[C@@H](C)C(=N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=N[C@@H](CC(C)C)C(=N[C@@H](CCC(=O)O)C(=N[C@@H](CC3=CC=CC=C3)C(=O)O)O)O)O)O)O)O)O)O)O)O)O)N=C(CN=C([C@H](CC(=N)O)N=C([C@@H]4CCCN4C(=O)[C@H](CC5=CC=C(C=C5)O)N=C([C@H](C(C)C)N=C([C@H](CCCCN)N=C([C@H](C(C)C)N=C(C6CCCN6C(=O)[C@H](CCCNC(=N)N)N)O)O)O)O)O)O)O
- Canonical SMILES
- CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@H](CO)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)CN=C(O)[C@H](CC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)C1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O
名称与同义词
- MFCD00076159
- C112H165N27O36
- (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]propanoyl]amino]-4-carboxy-butanoyl]amino]-3-carboxy-propanoyl]amino]-4-carboxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]propanoyl]amino]-5-[[(1S)-2-[[(1S)-1-benzyl-2-[(2S)-2-[[(1S)-1-[[(1S)-3-carboxy-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- 53917-42-3