Chemical Compound
(2S)-N-[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1R)-2-[[2-[[(1S)-4-amino-1-[(5-amino-1-carbamoyl-pentyl)carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-ethyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]butanediamide
CAS Registry Number
58694-52-3
Primary record
(2S)-N-[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1R)-2-[[2-[[(1S)-4-amino-1-[(5-amino-1-carbamoyl-pentyl)carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-ethyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]butanediamide
- 库存
- 4,940 克
- 纯度
- 99.7 %
- CAS
- 58694-52-3
化合物标识与属性
- CAS
- 58694-52-3
- PubChem CID
- 56947142
- SMILES
- CC[C@H](C)[C@@H](C(=N[C@@H]([C@@H](C)CC)C(=N[C@@H](C(CC)CC)C(=O)N1CCC[C@H]1C(=N[C@@H](CC2=CN=CN2)C(=N[C@@H](CCSC)C(=NC(CS)C(=N[C@@H](CC3=CNC4=CC=CC=C43)C(=N[C@@H](CCCCN)C(=N[C@@H](CCCCN)C(=N[C@@H](CS)C(=NCC(=N[C@@H](CCCN)C(=NC(CCCCN)C(=N)O)O)O)O)O)O)O)O)O)O)O)O)O)N=C([C@H](CCCNC(=N)N)N=C([C@H](CC(=N)O)N=C([C@H](CS)N=C([C@H](CC(=N)O)N=C([C@H](CS)N=C([C@H](CC(C)C)N=C([C@H](C)N)O)O)O)O)O)O)O
- Canonical SMILES
- CCC(CC)[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CS)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CS)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CCSC)C(O)=NC(CS)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CS)C(O)=NCC(O)=N[C@@H](CCCN)C(O)=NC(CCCCN)C(=N)O
名称与同义词
- C106H180N34O23S5
- (2S)-N-[(1S)-1-[[(1S,2S)-1-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1R)-2-[[2-[[(1S)-4-amino-1-[(5-amino-1-carbamoyl-pentyl)carbamoyl]butyl]amino]-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-3-methylsulfanyl-propyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-ethyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-4-guanidino-butyl]-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoyl]amino]-3-sulfanyl-propanoyl]amino]butanediamide
- 58694-52-3