N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide

C34H58N7O5+ — CID 143138657

About N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide

N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide (PubChem CID 143138657) has the molecular formula C34H58N7O5+ and a molecular weight of 644.88 g/mol. Its IUPAC name is N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide
• PubChem CID: 143138657
• Molecular Formula: C34H58N7O5+
• Molecular Weight: 644.88 g/mol
• Exact Mass: 644.45
• IUPAC Name: N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide
• SMILES: CCNC(=O)C(NC(=O)[C@H](C)NCC(CC(C)C)NC(=O)[C@H](CC1CC1)NC(=O)C(NC(=O)c1cc[nH+]cc1)[C@@H](C)CC)C(C)C
• InChI: InChI=1S/C34H57N7O5/c1-9-22(7)29(41-31(43)25-13-15-35-16-14-25)34(46)39-27(18-24-11-12-24)32(44)38-26(17-20(3)4)19-37-23(8)30(42)40-28(21(5)6)33(45)36-10-2/h13-16,20-24,26-29,37H,9-12,17-19H2,1-8H3,(H,36,45)(H,38,44)(H,39,46)(H,40,42)(H,41,43)/p+1/t22-,23-,26?,27-,28?,29?/m0/s1
• InChIKey: AQRBKFRXSTURKF-WLNNKHGLSA-O
• XLogP: 1.72
• TPSA: 171.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.88
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide?

The IUPAC name of N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide (CID 143138657) is N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide.

What is the SMILES notation for N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide?

The canonical SMILES for N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide is CCNC(=O)C(NC(=O)[C@H](C)NCC(CC(C)C)NC(=O)[C@H](CC1CC1)NC(=O)C(NC(=O)c1cc[nH+]cc1)[C@@H](C)CC)C(C)C.

What is the InChIKey of N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide?

The InChIKey is AQRBKFRXSTURKF-WLNNKHGLSA-O. The full InChI is InChI=1S/C34H57N7O5/c1-9-22(7)29(41-31(43)25-13-15-35-16-14-25)34(46)39-27(18-24-11-12-24)32(44)38-26(17-20(3)4)19-37-23(8)30(42)40-28(21(5)6)33(45)36-10-2/h13-16,20-24,26-29,37H,9-12,17-19H2,1-8H3,(H,36,45)(H,38,44)(H,39,46)(H,40,42)(H,41,43)/p+1/t22-,23-,26?,27-,28?,29?/m0/s1.

What are the key properties of N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide?

N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide has a molecular weight of 644.88 g/mol, XLogP of 1.72, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[[(2S)-3-cyclopropyl-1-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyridin-1-ium-4-carboxamide is sourced from PubChem (CID 143138657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).