Molecular Properties | |
SMILES: | COC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |
MW: | 400.431 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 113.96 |
cLogP: | 1.1742 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine Extended REAL: | s_22____8270914____59815 |
Mcule: | MCULE-4167430980 |
MolPort: | MolPort-047-465-922 |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
carbamate, CBZ Protected
carbamate include di-substitued N
Ester
Long aliphatic chain
Dipeptide
FAR-UNI-124f5ee8-1
0.625
FAR-UNI-9a76d7b5-1
0.587
AAR-POS-fca48359-12
0.587
BAR-COM-4e090d3a-19
0.533
MAT-POS-bfefc3ea-2
0.423
SAL-INS-68b48d12-4
0.405
SAL-INS-68b48d12-3
0.405
SAL-INS-68b48d12-11
0.402
JOH-MSK-8ad0fd05-1
0.400
JUA-UNI-b93289a4-6
0.397
SAL-INS-68b48d12-12
0.395
JUA-UNI-a9dfaed1-6
0.395
JOH-MSK-46727e7b-1
0.389
MAT-POS-bfefc3ea-3
0.389
SAL-INS-a5f8a8b9-2
0.376
MAK-UNK-f983951f-5
0.368
SAL-INS-68b48d12-2
0.366
MAK-UNK-c44f4be0-10
0.364
MAR-TRE-e86a56b5-55
0.364
SAL-INS-a5f8a8b9-1
0.359
SAL-INS-68b48d12-1
0.359
ABH-HOE-1cbf6cd9-3
0.351
ARI-TAT-5792557e-28
0.346
ABH-HOE-1cbf6cd9-1
0.343
MAK-UNK-f983951f-22
0.343
JUS-UNI-57125a42-1
0.337
JAN-GHE-f375bf5b-1
0.330
UNK-CYC-68f84b31-75
0.330
MAK-UNK-27459e11-12
0.329
ABH-HOE-1cbf6cd9-2
0.327
ABH-HOE-1cbf6cd9-4
0.327
SHA-THE-408e7524-8
0.327
MAR-SOS-c7881798-1
0.318
MAR-SOS-82e3a7c7-11
0.318
OLE-CAR-5b17bec5-8
0.315
SAL-INS-68b48d12-5
0.315
SAL-INS-68b48d12-6
0.315
BAR-COM-4e090d3a-7
0.315
ARI-TAT-5792557e-29
0.311
OLE-CAR-5b17bec5-10
0.307
BAR-COM-4e090d3a-36
0.307
SHA-THE-408e7524-9
0.306
MAK-UNK-c44f4be0-9
0.305
MAR-SOS-82e3a7c7-4
0.303
MAR-SOS-c7881798-7
0.303
SIM-TAK-0ea87db9-1
0.302
MAR-TRE-e86a56b5-73
0.296
OLE-CAR-5b17bec5-9
0.294
NIC-BIO-a68395b7-4
0.291
LAU-FAC-e2c8b4ad-1
0.291
MAR-SOS-82e3a7c7-3
0.290
MAR-SOS-c7881798-12
0.290
DRA-CSI-47e38074-4
0.287
MAK-UNK-f983951f-13
0.286
MAK-UNK-c44f4be0-11
0.286
AAR-POS-d2a4d1df-16
0.284
ALE-UNK-fca05062-6
0.284
MAR-TRE-e86a56b5-83
0.284
MAR-SOS-82e3a7c7-5
0.283
MAR-SOS-c7881798-10
0.283
MAR-TRE-e86a56b5-69
0.282
MAR-TRE-e86a56b5-47
0.280
VAL-ASS-c8151e3f-1
0.280
MAK-UNK-c44f4be0-8
0.280
MAR-SOS-82e3a7c7-12
0.280
MAR-SOS-c7881798-4
0.280
MAR-TRE-87acfbcc-18
0.280
MAR-SOS-82e3a7c7-10
0.278
MAR-SOS-c7881798-11
0.278
ALP-POS-8df010a9-1
0.277
BEN-DND-93268d01-14
0.277
MAR-TRE-e86a56b5-98
0.276
MAK-UNK-c44f4be0-7
0.276
MAK-UNK-a7992eb3-26
0.271
MAR-TRE-e86a56b5-31
0.269
NIM-UNI-ed9fc491-3
0.268
NIC-UNK-21c5e845-1
0.268
NIC-UNK-21c5e845-2
0.268
VOL-CHA-d666e5ae-2
0.267
TRY-UNI-9f475305-10
0.267
NIC-UNK-21c5e845-3
0.266
MAR-TRE-87acfbcc-95
0.265
MAR-TRE-e86a56b5-41
0.264
TRY-UNI-9f475305-11
0.264
NIC-BIO-3276ca7f-7
0.264
MAK-UNK-27459e11-5
0.263
VAL-UNK-82caa8e7-1
0.263
MAR-TRE-85681e92-51
0.263
MAK-UNK-a7992eb3-29
0.260
UNK-CYC-68f84b31-52
0.260
ARI-TAT-5792557e-4
0.260
MAR-TRE-e86a56b5-66
0.259
MAR-SOS-c7881798-2
0.257
MAR-SOS-82e3a7c7-1
0.257
DRA-CSI-47e38074-3
0.256
UNK-CYC-68f84b31-36
0.255
MAR-TRE-e86a56b5-64
0.253
MAR-TRE-e86a56b5-81
0.253
NIC-BIO-3276ca7f-4
0.253
SER-UNI-400afb01-4
0.252