(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide

C24H45N5O10 — CID 73356121

IUPAC(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)C
InChIInChI=1S/C24H45N5O10/c1-7-25-21(36)13(6)27-16(32)9-26-22(37)14(8-11(2)3)28-23(38)17(12(4)5)29-24(39)20(35)19(34)18(33)15(31)10-30/h11-15,17-20,30-31,33-35H,7-10H2,1-6H3,(H,25,36)(H,26,37)(H,27,32)(H,28,38)(H,29,39)/t13-,14-,15+,17-,18+,19-,20+/m0/s1
InChIKeyXYXIWQPHXILCCS-AHGJZHOYSA-N
MW563.65 g/mol
LogP-4.15
Rot. Bonds17

About (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 73356121) has the molecular formula C24H45N5O10 and a molecular weight of 563.65 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID73356121
Molecular FormulaC24H45N5O10
Molecular Weight563.65 g/mol
Exact Mass563.32
IUPAC Name(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)C
InChIInChI=1S/C24H45N5O10/c1-7-25-21(36)13(6)27-16(32)9-26-22(37)14(8-11(2)3)28-23(38)17(12(4)5)29-24(39)20(35)19(34)18(33)15(31)10-30/h11-15,17-20,30-31,33-35H,7-10H2,1-6H3,(H,25,36)(H,26,37)(H,27,32)(H,28,38)(H,29,39)/t13-,14-,15+,17-,18+,19-,20+/m0/s1
InChIKeyXYXIWQPHXILCCS-AHGJZHOYSA-N
XLogP-4.15
TPSA246.65 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.65
LogP ≤ 5-4.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide (CID 73356121) is (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide is CCNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(C)C.
What is the InChIKey of (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is XYXIWQPHXILCCS-AHGJZHOYSA-N. The full InChI is InChI=1S/C24H45N5O10/c1-7-25-21(36)13(6)27-16(32)9-26-22(37)14(8-11(2)3)28-23(38)17(12(4)5)29-24(39)20(35)19(34)18(33)15(31)10-30/h11-15,17-20,30-31,33-35H,7-10H2,1-6H3,(H,25,36)(H,26,37)(H,27,32)(H,28,38)(H,29,39)/t13-,14-,15+,17-,18+,19-,20+/m0/s1.
What are the key properties of (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide?
(2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 563.65 g/mol, XLogP of -4.15, 17 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 73356121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).