N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide

C31H52N6O6 — CID 143138570

About N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide

N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide (PubChem CID 143138570) has the molecular formula C31H52N6O6 and a molecular weight of 604.79 g/mol. Its IUPAC name is N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide
• PubChem CID: 143138570
• Molecular Formula: C31H52N6O6
• Molecular Weight: 604.79 g/mol
• Exact Mass: 604.39
• IUPAC Name: N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide
• SMILES: CCNC(=O)C(NC(=O)[C@H](C)NCC(CC(C)C)NC(=O)CNC(=O)C(NC(=O)c1ccc(O)cc1)[C@@H](C)CC)C(C)C
• InChI: InChI=1S/C31H52N6O6/c1-9-20(7)27(37-29(41)22-11-13-24(38)14-12-22)31(43)34-17-25(39)35-23(15-18(3)4)16-33-21(8)28(40)36-26(19(5)6)30(42)32-10-2/h11-14,18-21,23,26-27,33,38H,9-10,15-17H2,1-8H3,(H,32,42)(H,34,43)(H,35,39)(H,36,40)(H,37,41)/t20-,21-,23?,26?,27?/m0/s1
• InChIKey: MNLCTDOFKUMVGB-AKWLJNRXSA-N
• XLogP: 1.44
• TPSA: 177.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.79
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide (CID 143138570) is N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide.

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

The canonical SMILES for N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide is CCNC(=O)C(NC(=O)[C@H](C)NCC(CC(C)C)NC(=O)CNC(=O)C(NC(=O)c1ccc(O)cc1)[C@@H](C)CC)C(C)C.

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

The InChIKey is MNLCTDOFKUMVGB-AKWLJNRXSA-N. The full InChI is InChI=1S/C31H52N6O6/c1-9-20(7)27(37-29(41)22-11-13-24(38)14-12-22)31(43)34-17-25(39)35-23(15-18(3)4)16-33-21(8)28(40)36-26(19(5)6)30(42)32-10-2/h11-14,18-21,23,26-27,33,38H,9-10,15-17H2,1-8H3,(H,32,42)(H,34,43)(H,35,39)(H,36,40)(H,37,41)/t20-,21-,23?,26?,27?/m0/s1.

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

N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide has a molecular weight of 604.79 g/mol, XLogP of 1.44, 18 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[[2-[[1-[[(2S)-1-[[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylpentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide is sourced from PubChem (CID 143138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).