Primary Record
C113H170N34O31S9
- In stock
- 1,135 g
- Purity
- 99.0 %
- CAS
- 1356390-47-0
Compound Identifiers & Properties
- CAS
- 1356390-47-0
- PubChem CID
- 176447317
- SMILES
- CC[C@H](C)[C@H]1C(=N[C@H](C(=N[C@H]2CSSC[C@H]3C(=N[C@H]4CSSC[C@@H](C(=N[C@@H](CSSC[C@@H](C(=N1)O)N=C([C@H]([C@@H](C)CC)N=C([C@@H]5CCCN5C(=O)[C@H](CC6=CC=CC=C6)N=C([C@H](CC7=CN=CN7)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](CSSC[C@@H](C(=NCC(=N3)O)O)N=C2O)N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C([C@@H](N=C4O)CC8=CN=CN8)O)CCCNC(=N)N)O)CO)O)CCCCN)O)O)O)CCSC)O)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]3N=C(O)[C@@H]4CSSC[C@H](N=C(O)[C@H](Cc5ccccc5)N=C1O)C(O)=N[C@@H](CSSC[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](Cc1cnc[nH]1)N=C3O)C(O)=NCC(O)=N[C@@H](CCSC)C(O)=N2)C(O)=NCC(O)=N4
Names & Synonyms
- C113H170N34O31S9
- (3S)-3-amino-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-2-[(2S)-2-[[(1S,2S)-1-[[(1R,6R,12R,17R,20S,23S,26R,31R,34R,39R,42S,45S,48S,51S,59S)-51-(4-aminobutyl)-31-[[(1S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]pentyl]carbamoyl]-20-benzyl-45-(3-guanidinopropyl)-48-(hydroxymethyl)-42-(1H-imidazol-4-ylmethyl)-23-[(1S)-1-methylpropyl]-59-(2-methylsulfanylethyl)-7,10,19,22,25,33,40,43,46,49,52,54,57,60,63,64-hexadecaoxo-3,4,14,15,28,29,36,37-octathia-8,11,18,21,24,32,41,44,47,50,53,55,58,61,62,65-hexadecazatetracyclo[32.19.8.26,17.212,39]pentahexacontan-26-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
- 1356390-47-0