| Stereochemistry | ABSOLUTE |
| Molecular Formula | C27H33N5O2.2C4H6O4 |
| Molecular Weight | 695.7593 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.OC(=O)CCC(O)=O.CN1CCC(CC1)N2CCN(CC2)C(=O)[C@H](NC(=O)C3=CC4=C(C=CN4)C=C3)C5=CC=CC=C5
InChI
InChIKey=UDIXENOBVIEPIS-KHZPMNTOSA-N
InChI=1S/C27H33N5O2.2C4H6O4/c1-30-13-10-23(11-14-30)31-15-17-32(18-16-31)27(34)25(21-5-3-2-4-6-21)29-26(33)22-8-7-20-9-12-28-24(20)19-22;2*5-3(6)1-2-4(7)8/h2-9,12,19,23,25,28H,10-11,13-18H2,1H3,(H,29,33);2*1-2H2,(H,5,6)(H,7,8)/t25-;;/m1../s1
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C27H33N5O2 |
| Molecular Weight | 459.5832 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
