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

C21H41N9O5 — CID 73347180

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

tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate (PubChem CID 73347180) has the molecular formula C21H41N9O5 and a molecular weight of 499.62 g/mol. Its IUPAC name is tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
• PubChem CID: 73347180
• Molecular Formula: C21H41N9O5
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.32
• IUPAC Name: tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@H](CCCN=C(N)N)C(=O)NC(C)(C)C(=O)N[C@H](C=O)CCCN=C(N)N
• InChI: InChI=1S/C21H41N9O5/c1-20(2,3)35-19(34)29-14(9-7-11-27-18(24)25)15(32)30-21(4,5)16(33)28-13(12-31)8-6-10-26-17(22)23/h12-14H,6-11H2,1-5H3,(H,28,33)(H,29,34)(H,30,32)(H4,22,23,26)(H4,24,25,27)/t13-,14+/m0/s1
• InChIKey: FKRMWNANNKJCTQ-UONOGXRCSA-N
• XLogP: -1.43
• TPSA: 242.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	7
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-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate (CID 73347180) is tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CCCN=C(N)N)C(=O)NC(C)(C)C(=O)N[C@H](C=O)CCCN=C(N)N.

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

The InChIKey is FKRMWNANNKJCTQ-UONOGXRCSA-N. The full InChI is InChI=1S/C21H41N9O5/c1-20(2,3)35-19(34)29-14(9-7-11-27-18(24)25)15(32)30-21(4,5)16(33)28-13(12-31)8-6-10-26-17(22)23/h12-14H,6-11H2,1-5H3,(H,28,33)(H,29,34)(H,30,32)(H4,22,23,26)(H4,24,25,27)/t13-,14+/m0/s1.

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

tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate has a molecular weight of 499.62 g/mol, XLogP of -1.43, 14 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2R)-5-(diaminomethylideneamino)-1-[[1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 73347180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).