2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid

C26H39N5O9 — CID 102496211

IUPAC2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)c1nc(-c2nc(C(=O)O)co2)co1)[C@@H](C)CC
InChIInChI=1S/C26H39N5O9/c1-8-13(3)18(30-21(34)19(14(4)9-2)31-25(37)40-26(5,6)7)20(33)27-15(10-32)22-28-16(11-38-22)23-29-17(12-39-23)24(35)36/h11-15,18-19,32H,8-10H2,1-7H3,(H,27,33)(H,30,34)(H,31,37)(H,35,36)/t13-,14-,15-,18-,19-/m0/s1
InChIKeyAZBQRJLXYXHXDH-FLKCQLHMSA-N
MW565.62 g/mol
LogP2.65
Rot. Bonds13

About 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid

2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 102496211) has the molecular formula C26H39N5O9 and a molecular weight of 565.62 g/mol. Its IUPAC name is 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID102496211
Molecular FormulaC26H39N5O9
Molecular Weight565.62 g/mol
Exact Mass565.27
IUPAC Name2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)c1nc(-c2nc(C(=O)O)co2)co1)[C@@H](C)CC
InChIInChI=1S/C26H39N5O9/c1-8-13(3)18(30-21(34)19(14(4)9-2)31-25(37)40-26(5,6)7)20(33)27-15(10-32)22-28-16(11-38-22)23-29-17(12-39-23)24(35)36/h11-15,18-19,32H,8-10H2,1-7H3,(H,27,33)(H,30,34)(H,31,37)(H,35,36)/t13-,14-,15-,18-,19-/m0/s1
InChIKeyAZBQRJLXYXHXDH-FLKCQLHMSA-N
XLogP2.65
TPSA206.12 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.62
LogP ≤ 52.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-3-methyl-2-[[(2R,3R)-3-methyl-2-[3-[[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carbonyl]amino]propanoylamino]pentanoyl]amino]butanoate
CID 102407337
methyl 2-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 102444482
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446127
tert-butyl N-[(2S)-1-[[(1S)-2-hydroxy-1-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101201490
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
methyl 2-[(1S)-1-[[(3S,4S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoyl]amino]-2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazole-4-carboxylate
CID 46867725
methyl (2S)-3-methyl-2-[[(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoate
CID 95560766
2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoic acid
CID 14256958
methyl 2-[(1S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3-oxazole-4-carboxylate
CID 10686554
(E)-3-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-oxazol-4-yl]prop-2-enoic acid
CID 11197217
methyl 2-[2-[(1S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 122228769
tert-butyl N-(1-hydrazinyl-3-methyl-1-oxopentan-2-yl)carbamate
CID 50945788

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid (CID 102496211) is 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid is CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)c1nc(-c2nc(C(=O)O)co2)co1)[C@@H](C)CC.
What is the InChIKey of 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is AZBQRJLXYXHXDH-FLKCQLHMSA-N. The full InChI is InChI=1S/C26H39N5O9/c1-8-13(3)18(30-21(34)19(14(4)9-2)31-25(37)40-26(5,6)7)20(33)27-15(10-32)22-28-16(11-38-22)23-29-17(12-39-23)24(35)36/h11-15,18-19,32H,8-10H2,1-7H3,(H,27,33)(H,30,34)(H,31,37)(H,35,36)/t13-,14-,15-,18-,19-/m0/s1.
What are the key properties of 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid?
2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 565.62 g/mol, XLogP of 2.65, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-2-hydroxy-1-[[(2S,3S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]ethyl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 102496211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).