[(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

C28H36N6O7 — CID 58644817

About [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate

[(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (PubChem CID 58644817) has the molecular formula C28H36N6O7 and a molecular weight of 568.63 g/mol. Its IUPAC name is [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
• PubChem CID: 58644817
• Molecular Formula: C28H36N6O7
• Molecular Weight: 568.63 g/mol
• Exact Mass: 568.26
• IUPAC Name: [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
• SMILES: CC[C@H](COC(C)[C@H](N)CC(N)=O)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1
• InChI: InChI=1S/C28H36N6O7/c1-4-21(15-39-17(2)23(29)12-26(30)35)41-28(37)32-13-18-6-5-7-19(10-18)33-27(36)34-20-8-9-22(24(11-20)38-3)25-14-31-16-40-25/h5-11,14,16-17,21,23H,4,12-13,15,29H2,1-3H3,(H2,30,35)(H,32,37)(H2,33,34,36)/t17?,21-,23-/m1/s1
• InChIKey: FVNXVLOCQGKRON-XQAYDEMESA-N
• XLogP: 3.61
• TPSA: 193.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.63
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

The IUPAC name of [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate (CID 58644817) is [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate.

What is the SMILES notation for [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

The canonical SMILES for [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is CC[C@H](COC(C)[C@H](N)CC(N)=O)OC(=O)NCc1cccc(NC(=O)Nc2ccc(-c3cnco3)c(OC)c2)c1.

What is the InChIKey of [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

The InChIKey is FVNXVLOCQGKRON-XQAYDEMESA-N. The full InChI is InChI=1S/C28H36N6O7/c1-4-21(15-39-17(2)23(29)12-26(30)35)41-28(37)32-13-18-6-5-7-19(10-18)33-27(36)34-20-8-9-22(24(11-20)38-3)25-14-31-16-40-25/h5-11,14,16-17,21,23H,4,12-13,15,29H2,1-3H3,(H2,30,35)(H,32,37)(H2,33,34,36)/t17?,21-,23-/m1/s1.

What are the key properties of [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate?

[(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate has a molecular weight of 568.63 g/mol, XLogP of 3.61, 14 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[(3R)-3,5-diamino-5-oxopentan-2-yl]oxybutan-2-yl] N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 58644817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).