Chemical Compound
(3S)-3-[[(13S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49R)-40-(4-aminobutyl)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-43-(3-amino-3-oxo-propyl)-49-benzyl-34-(carboxymethyl)-13,31-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-19-isopropyl-22-methyl-28,37-bis[(1S)-1-methylpropyl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-et
CAS Registry Number
133448-20-1
Primary record
(3S)-3-[[(13S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49R)-40-(4-aminobutyl)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-43-(3-amino-3-oxo-propyl)-49-benzyl-34-(carboxymethyl)-13,31-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-19-isopropyl-22-methyl-28,37-bis[(1S)-1-methylpropyl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-et
- 库存
- 7,707 克
- 纯度
- 98.3 %
- CAS
- 133448-20-1
化合物标识与属性
- CAS
- 133448-20-1
- PubChem CID
- 176446351
- SMILES
- CC[C@H](C)[C@H]1C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=NC(C(=NCC(=NC(CSSCC(C(=N[C@@H](C(=NCC(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N1)O)CCCNC(=N)N)O)CC(=O)O)O)[C@@H](C)CC)O)CCCCN)O)CCC(=N)O)O)O)CC2=CC=CC=C2)O)N=C([C@H](CO)N=C([C@H](CO)N=C([C@H](CO)N=C([C@H](CC3=CN=CN3)N=C([C@H](C)N=C([C@H](CCSC)N=C([C@H](CCCCN)N=C([C@H](CO)N=C([C@H](CC(=N)O)N)O)O)O)O)O)O)O)O)O)C(=N[C@@H](CC(=O)O)C(=NCC(=N[C@@H](CC(C)C)C(=N[C@@H](CCCNC(=N)N)C(=N[C@@H](CC(C)C)C(=N[C@@H](CC4=CC=CC=C4)C(=O)O)O)O)O)O)O)O)O)O)CC(C)C)O)CCCNC(=N)N)O)CO)O)C(C)C)O)C)O)O
- Canonical SMILES
- CC[C@H](C)[C@@H]1N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=N)O)N=C(O)CN=C(O)[C@@H](Cc2ccccc2)N=C(O)C(N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](Cc2cnc[nH]2)N=C(O)[C@H](C)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(=N)O)CSSCC(C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc2ccccc2)C(=O)O)N=C(O)CN=C(O)C(CC(C)C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C)N=C(O)CN=C1O
名称与同义词
- MFCD00133150
- C146H239N47O44S3
- (3S)-3-[[(13S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49R)-40-(4-aminobutyl)-52-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-43-(3-amino-3-oxo-propyl)-49-benzyl-34-(carboxymethyl)-13,31-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-19-isopropyl-22-methyl-28,37-bis[(1S)-1-methylpropyl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-1-carboxy-2-phenyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-et
- 133448-20-1