(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

C34H56N4O6 — CID 10031765

IUPAC(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN(C)C)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C34H56N4O6/c1-24(2)19-30(39)32(41)28(21-26-13-9-6-10-14-26)35-34(43)29(23-37(3)4)36-33(42)27(20-25-11-7-5-8-12-25)22-31(40)38-15-17-44-18-16-38/h5,7-8,11-12,24,26-30,32,39,41H,6,9-10,13-23H2,1-4H3,(H,35,43)(H,36,42)/t27-,28+,29+,30+,32-/m1/s1
InChIKeyYWBICMHJWOGVGL-MCLUNMOSSA-N
MW616.84 g/mol
LogP2.36
Rot. Bonds16

About (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 10031765) has the molecular formula C34H56N4O6 and a molecular weight of 616.84 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID10031765
Molecular FormulaC34H56N4O6
Molecular Weight616.84 g/mol
Exact Mass616.42
IUPAC Name(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN(C)C)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1
InChIInChI=1S/C34H56N4O6/c1-24(2)19-30(39)32(41)28(21-26-13-9-6-10-14-26)35-34(43)29(23-37(3)4)36-33(42)27(20-25-11-7-5-8-12-25)22-31(40)38-15-17-44-18-16-38/h5,7-8,11-12,24,26-30,32,39,41H,6,9-10,13-23H2,1-4H3,(H,35,43)(H,36,42)/t27-,28+,29+,30+,32-/m1/s1
InChIKeyYWBICMHJWOGVGL-MCLUNMOSSA-N
XLogP2.36
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.84
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (CID 10031765) is (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CN(C)C)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is YWBICMHJWOGVGL-MCLUNMOSSA-N. The full InChI is InChI=1S/C34H56N4O6/c1-24(2)19-30(39)32(41)28(21-26-13-9-6-10-14-26)35-34(43)29(23-37(3)4)36-33(42)27(20-25-11-7-5-8-12-25)22-31(40)38-15-17-44-18-16-38/h5,7-8,11-12,24,26-30,32,39,41H,6,9-10,13-23H2,1-4H3,(H,35,43)(H,36,42)/t27-,28+,29+,30+,32-/m1/s1.
What are the key properties of (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 616.84 g/mol, XLogP of 2.36, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(dimethylamino)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 10031765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).