N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

C24H39N7O6 — CID 162533895

IUPACN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILES[H]/N=C/[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(C)C
InChIInChI=1S/C24H39N7O6/c1-12(2)9-17(22(34)28-16(11-25)7-8-19(26)32)29-24(36)20(13(3)4)30-21(33)15(6)27-23(35)18-10-14(5)37-31-18/h10-13,15-17,20,25H,7-9H2,1-6H3,(H2,26,32)(H,27,35)(H,28,34)(H,29,36)(H,30,33)/b25-11+/t15-,16-,17-,20-/m0/s1
InChIKeyBEDKZMYJXHXMQM-TZHYBBFTSA-N
MW521.62 g/mol
LogP0.17
Rot. Bonds15

About N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 162533895) has the molecular formula C24H39N7O6 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID162533895
Molecular FormulaC24H39N7O6
Molecular Weight521.62 g/mol
Exact Mass521.30
IUPAC NameN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILES[H]/N=C/[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(C)C
InChIInChI=1S/C24H39N7O6/c1-12(2)9-17(22(34)28-16(11-25)7-8-19(26)32)29-24(36)20(13(3)4)30-21(33)15(6)27-23(35)18-10-14(5)37-31-18/h10-13,15-17,20,25H,7-9H2,1-6H3,(H2,26,32)(H,27,35)(H,28,34)(H,29,36)(H,30,33)/b25-11+/t15-,16-,17-,20-/m0/s1
InChIKeyBEDKZMYJXHXMQM-TZHYBBFTSA-N
XLogP0.17
TPSA209.37 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 50.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 162533895) is N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is [H]/N=C/[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(C)C.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BEDKZMYJXHXMQM-TZHYBBFTSA-N. The full InChI is InChI=1S/C24H39N7O6/c1-12(2)9-17(22(34)28-16(11-25)7-8-19(26)32)29-24(36)20(13(3)4)30-21(33)15(6)27-23(35)18-10-14(5)37-31-18/h10-13,15-17,20,25H,7-9H2,1-6H3,(H2,26,32)(H,27,35)(H,28,34)(H,29,36)(H,30,33)/b25-11+/t15-,16-,17-,20-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 0.17, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-imino-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162533895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).