N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium

C96H134N11O16Pd- — CID 158491699

About N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium

N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium (PubChem CID 158491699) has the molecular formula C96H134N11O16Pd- and a molecular weight of 1804.61 g/mol. Its IUPAC name is N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium.

Molecular Properties

• Compound Name: N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium
• PubChem CID: 158491699
• Molecular Formula: C96H134N11O16Pd-
• Molecular Weight: 1804.61 g/mol
• Exact Mass: 1802.91
• IUPAC Name: N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium
• SMILES: CCCCC[C@H](NC(=O)[C@H](C)CC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)C[C@@H]1CN(OC)C1=O.CCCCc1ccc(-c2ccc(C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)C[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H]3CN(OC)C3=O)cc2)cc1.[CH3-].[Pd]
• InChI: InChI=1S/C52H69N5O9.C43H62N6O7.CH3.Pd/c1-5-7-10-19-43(46(58)33-42-34-57(65-4)50(42)62)54-48(60)36(3)32-47(59)45-21-15-31-56(45)51(63)44(20-13-14-30-53-52(64)66-35-38-17-11-9-12-18-38)55-49(61)41-28-26-40(27-29-41)39-24-22-37(23-25-39)16-8-6-2;1-4-5-11-30-15-17-31(18-16-30)32-19-21-33(22-20-32)41(53)47-36(13-7-9-24-45)43(55)48-25-10-14-37(48)39(51)26-29(2)40(52)46-35(12-6-8-23-44)38(50)27-34-28-49(56-3)42(34)54;;/h9,11-12,17-18,22-29,36,42-45H,5-8,10,13-16,19-21,30-35H2,1-4H3,(H,53,64)(H,54,60)(H,55,61);15-22,29,34-37H,4-14,23-28,44-45H2,1-3H3,(H,46,52)(H,47,53);1H3;/q;;-1;/t36-,42-,43+,44+,45+;29-,34-,35+,36+,37+;;/m11../s1
• InChIKey: WJWNIQASXTXHTF-GKOJMBBOSA-N
• XLogP: 12.07
• TPSA: 374.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 51
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1804.61
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium?

The IUPAC name of N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium (CID 158491699) is N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium.

What is the SMILES notation for N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium?

The canonical SMILES for N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium is CCCCC[C@H](NC(=O)[C@H](C)CC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(-c2ccc(CCCC)cc2)cc1)C(=O)C[C@@H]1CN(OC)C1=O.CCCCc1ccc(-c2ccc(C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)C[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)C[C@@H]3CN(OC)C3=O)cc2)cc1.[CH3-].[Pd].

What is the InChIKey of N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium?

The InChIKey is WJWNIQASXTXHTF-GKOJMBBOSA-N. The full InChI is InChI=1S/C52H69N5O9.C43H62N6O7.CH3.Pd/c1-5-7-10-19-43(46(58)33-42-34-57(65-4)50(42)62)54-48(60)36(3)32-47(59)45-21-15-31-56(45)51(63)44(20-13-14-30-53-52(64)66-35-38-17-11-9-12-18-38)55-49(61)41-28-26-40(27-29-41)39-24-22-37(23-25-39)16-8-6-2;1-4-5-11-30-15-17-31(18-16-30)32-19-21-33(22-20-32)41(53)47-36(13-7-9-24-45)43(55)48-25-10-14-37(48)39(51)26-29(2)40(52)46-35(12-6-8-23-44)38(50)27-34-28-49(56-3)42(34)54;;/h9,11-12,17-18,22-29,36,42-45H,5-8,10,13-16,19-21,30-35H2,1-4H3,(H,53,64)(H,54,60)(H,55,61);15-22,29,34-37H,4-14,23-28,44-45H2,1-3H3,(H,46,52)(H,47,53);1H3;/q;;-1;/t36-,42-,43+,44+,45+;29-,34-,35+,36+,37+;;/m11../s1.

What are the key properties of N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium?

N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium has a molecular weight of 1804.61 g/mol, XLogP of 12.07, 51 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6-amino-1-[(2S)-2-[(3R)-4-[[(3S)-7-amino-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxoheptan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]-4-(4-butylphenyl)benzamide;benzyl N-[(5S)-5-[[4-(4-butylphenyl)benzoyl]amino]-6-[(2S)-2-[(3R)-4-[[(3S)-1-[(3R)-1-methoxy-2-oxoazetidin-3-yl]-2-oxooctan-3-yl]amino]-3-methyl-4-oxobutanoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate;carbanide;palladium is sourced from PubChem (CID 158491699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).