Primary Record
C113H170N34O31S9
- In stock
- 8,726 g
- Purity
- 98.5 %
- CAS
- 342790-21-0
Compound Identifiers & Properties
- CAS
- 342790-21-0
- PubChem CID
- 176447180
- SMILES
- CC[C@H](C)[C@H]1C(=N[C@H](C(=N[C@H]2CSSC[C@@H](C(=N[C@@H](CSSC[C@@H](C(=N1)O)N=C([C@H]([C@@H](C)CC)N=C([C@@H]3CCCN3C(=O)[C@H](CC4=CC=CC=C4)N=C([C@H](CC5=CN=CN5)N=C([C@H]([C@@H](C)O)N=C([C@H](CC(=O)O)N)O)O)O)O)O)C(=N[C@@H](CCCCN)C(=N[C@@H]([C@@H](C)O)C(=O)O)O)O)O)N=C([C@@H](N=C(CN=C([C@@H]6CSSC[C@@H](C(=NCC(=N[C@H]7CSSC[C@@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H](C(=N6)O)CCCCN)O)CO)O)CCCNC(=N)N)O)CC8=CN=CN8)O)N=C7O)O)O)N=C2O)O)O)CCSC)O)O)CC9=CC=CC=C9)O
- Canonical SMILES
- CC[C@H](C)[C@@H]1N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N=C(O)[C@H](Cc2cnc[nH]2)N=C(O)[C@@H](N=C(O)[C@@H](N)CC(=O)O)[C@@H](C)O)[C@@H](C)CC)CSSC[C@@H](C(O)=N[C@@H](CCCCN)C(O)=N[C@H](C(=O)O)[C@@H](C)O)N=C(O)[C@@H]2CSSC[C@H](N=C(O)[C@H](Cc3ccccc3)N=C1O)C(O)=N[C@H]1CSSC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc3cnc[nH]3)N=C(O)[C@@H]3CSSC[C@H](N=C(O)CN=C1O)C(O)=N3)C(O)=NCC(O)=N[C@@H](CCSC)C(O)=N2
Names & Synonyms
- C113H170N34O31S9
- (3S)-3-amino-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S,2S)-1-[[(1R,4R,7S,10S,13R,18R,21R,24S,30R,33S,36S,39S,42S,45R,50R)-33-(4-aminobutyl)-18-[[(1S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-7-benzyl-39-(3-guanidinopropyl)-36-(hydroxymethyl)-42-(1H-imidazol-4-ylmethyl)-10-[(1S)-1-methylpropyl]-24-(2-methylsulfanylethyl)-3,6,9,12,20,23,26,29,32,35,38,41,44,52,55,60-hexadecaoxo-15,16,47,48,57,58,63,64-octathia-2,5,8,11,19,22,25,28,31,34,37,40,43,51,54,61-hexadecazatetracyclo[28.25.4.44,21.245,50]pentahexacontan-13-yl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid
- 342790-21-0