(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

C89H94N12O27 — CID 16723476

About (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 16723476) has the molecular formula C89H94N12O27 and a molecular weight of 1763.79 g/mol. Its IUPAC name is (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
• PubChem CID: 16723476
• Molecular Formula: C89H94N12O27
• Molecular Weight: 1763.79 g/mol
• Exact Mass: 1762.64
• IUPAC Name: (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
• SMILES: C[C@@H]1OC(=O)N(C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)[C@H]1C(=O)O
• InChI: InChI=1S/C89H94N12O27/c1-46-70(96(83(116)122-46)64(102)41-59(53-30-18-11-19-31-53)91-78(110)72-48(3)124-85(118)98(72)66(104)43-61(55-34-22-13-23-35-55)93-80(112)74-50(5)126-87(120)100(74)68(106)45-63(57-38-26-15-27-39-57)95-82(115)128-89(7,8)9)76(108)90-58(52-28-16-10-17-29-52)40-65(103)97-71(47(2)123-84(97)117)77(109)92-60(54-32-20-12-21-33-54)42-67(105)99-73(49(4)125-86(99)119)79(111)94-62(56-36-24-14-25-37-56)44-69(107)101-75(81(113)114)51(6)127-88(101)121/h10-39,46-51,58-63,70-75H,40-45H2,1-9H3,(H,90,108)(H,91,110)(H,92,109)(H,93,112)(H,94,111)(H,95,115)(H,113,114)/t46-,47-,48-,49-,50-,51-,58-,59-,60-,61-,62-,63-,70+,71+,72+,73+,74+,75+/m0/s1
• InChIKey: LMMIADAWVJOCDZ-YENHMFSWSA-N
• XLogP: 7.38
• TPSA: 500.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1763.79
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?

The IUPAC name of (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 16723476) is (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.

What is the SMILES notation for (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?

The canonical SMILES for (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is C[C@@H]1OC(=O)N(C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)[C@H]2[C@H](C)OC(=O)N2C(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)[C@H]1C(=O)O.

What is the InChIKey of (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?

The InChIKey is LMMIADAWVJOCDZ-YENHMFSWSA-N. The full InChI is InChI=1S/C89H94N12O27/c1-46-70(96(83(116)122-46)64(102)41-59(53-30-18-11-19-31-53)91-78(110)72-48(3)124-85(118)98(72)66(104)43-61(55-34-22-13-23-35-55)93-80(112)74-50(5)126-87(120)100(74)68(106)45-63(57-38-26-15-27-39-57)95-82(115)128-89(7,8)9)76(108)90-58(52-28-16-10-17-29-52)40-65(103)97-71(47(2)123-84(97)117)77(109)92-60(54-32-20-12-21-33-54)42-67(105)99-73(49(4)125-86(99)119)79(111)94-62(56-36-24-14-25-37-56)44-69(107)101-75(81(113)114)51(6)127-88(101)121/h10-39,46-51,58-63,70-75H,40-45H2,1-9H3,(H,90,108)(H,91,110)(H,92,109)(H,93,112)(H,94,111)(H,95,115)(H,113,114)/t46-,47-,48-,49-,50-,51-,58-,59-,60-,61-,62-,63-,70+,71+,72+,73+,74+,75+/m0/s1.

What are the key properties of (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?

(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 1763.79 g/mol, XLogP of 7.38, 30 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[[(4R,5S)-5-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 16723476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).