tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate

C20H38N8O5 — CID 73354766

About tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate

tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate (PubChem CID 73354766) has the molecular formula C20H38N8O5 and a molecular weight of 470.58 g/mol. Its IUPAC name is tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate
• PubChem CID: 73354766
• Molecular Formula: C20H38N8O5
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.30
• IUPAC Name: tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate
• SMILES: C/C(N)=N\CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](C=O)CCCN=C(N)N
• InChI: InChI=1S/C20H38N8O5/c1-13(21)24-9-6-8-15(28-19(32)33-20(2,3)4)17(31)26-11-16(30)27-14(12-29)7-5-10-25-18(22)23/h12,14-15H,5-11H2,1-4H3,(H2,21,24)(H,26,31)(H,27,30)(H,28,32)(H4,22,23,25)/t14-,15+/m0/s1
• InChIKey: CXZCTGBJWCGRRI-LSDHHAIUSA-N
• XLogP: -1.11
• TPSA: 216.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	-1.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate (CID 73354766) is tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate is C/C(N)=N\CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](C=O)CCCN=C(N)N.

What is the InChIKey of tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate?

The InChIKey is CXZCTGBJWCGRRI-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H38N8O5/c1-13(21)24-9-6-8-15(28-19(32)33-20(2,3)4)17(31)26-11-16(30)27-14(12-29)7-5-10-25-18(22)23/h12,14-15H,5-11H2,1-4H3,(H2,21,24)(H,26,31)(H,27,30)(H,28,32)(H4,22,23,25)/t14-,15+/m0/s1.

What are the key properties of tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate?

tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate has a molecular weight of 470.58 g/mol, XLogP of -1.11, 14 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-5-(1-aminoethylideneamino)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 73354766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).