tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate

C55H97N17O22 — CID 53360518

About tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate

tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate (PubChem CID 53360518) has the molecular formula C55H97N17O22 and a molecular weight of 1348.48 g/mol. Its IUPAC name is tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate
• PubChem CID: 53360518
• Molecular Formula: C55H97N17O22
• Molecular Weight: 1348.48 g/mol
• Exact Mass: 1347.70
• IUPAC Name: tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate
• SMILES: CC(C)(C)OC(=O)NNC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)NNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)NNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)NNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C
• InChI: InChI=1S/C55H97N17O22/c1-50(2,3)89-44(83)67-61-35(74)25-20-30(40(79)59-32(42(81)65-71-48(87)93-54(13,14)15)22-27-37(76)63-69-46(85)91-52(7,8)9)57-34(73)24-19-29(56)39(78)58-31(21-26-36(75)62-68-45(84)90-51(4,5)6)41(80)60-33(43(82)66-72-49(88)94-55(16,17)18)23-28-38(77)64-70-47(86)92-53(10,11)12/h29-33H,19-28,56H2,1-18H3,(H,57,73)(H,58,78)(H,59,79)(H,60,80)(H,61,74)(H,62,75)(H,63,76)(H,64,77)(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,85)(H,70,86)(H,71,87)(H,72,88)/t29-,30-,31-,32-,33-/m0/s1
• InChIKey: XZONJPSJLNWFLN-ZTTXAYQISA-N
• XLogP: -0.51
• TPSA: 547.00 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.48
LogP ≤ 5	-0.51
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate?

The IUPAC name of tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate (CID 53360518) is tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate.

What is the SMILES notation for tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate?

The canonical SMILES for tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate is CC(C)(C)OC(=O)NNC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)NNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)NNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)NNC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate?

The InChIKey is XZONJPSJLNWFLN-ZTTXAYQISA-N. The full InChI is InChI=1S/C55H97N17O22/c1-50(2,3)89-44(83)67-61-35(74)25-20-30(40(79)59-32(42(81)65-71-48(87)93-54(13,14)15)22-27-37(76)63-69-46(85)91-52(7,8)9)57-34(73)24-19-29(56)39(78)58-31(21-26-36(75)62-68-45(84)90-51(4,5)6)41(80)60-33(43(82)66-72-49(88)94-55(16,17)18)23-28-38(77)64-70-47(86)92-53(10,11)12/h29-33H,19-28,56H2,1-18H3,(H,57,73)(H,58,78)(H,59,79)(H,60,80)(H,61,74)(H,62,75)(H,63,76)(H,64,77)(H,65,81)(H,66,82)(H,67,83)(H,68,84)(H,69,85)(H,70,86)(H,71,87)(H,72,88)/t29-,30-,31-,32-,33-/m0/s1.

What are the key properties of tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate?

tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate has a molecular weight of 1348.48 g/mol, XLogP of -0.51, 24 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(4S)-4-[[(2S)-2-amino-5-[[(2S)-1-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoyl]amino]carbamate is sourced from PubChem (CID 53360518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).