(2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide

C23H43N5O5 — CID 129449877

IUPAC(2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide
SMILESCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CC(C)C)C(N)=O)[C@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C23H43N5O5/c1-8-14(6)19(28-23(33)20(15(7)9-2)27-17(29)10-3)22(32)25-12-18(30)26-16(21(24)31)11-13(4)5/h13-16,19-20H,8-12H2,1-7H3,(H2,24,31)(H,25,32)(H,26,30)(H,27,29)(H,28,33)/t14-,15+,16-,19+,20+/m1/s1
InChIKeyIFVJHDKHIMFSMD-VKSPVCMPSA-N
MW469.63 g/mol
LogP0.59
Rot. Bonds15

About (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide

(2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide (PubChem CID 129449877) has the molecular formula C23H43N5O5 and a molecular weight of 469.63 g/mol. Its IUPAC name is (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide
PubChem CID129449877
Molecular FormulaC23H43N5O5
Molecular Weight469.63 g/mol
Exact Mass469.33
IUPAC Name(2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide
SMILESCCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CC(C)C)C(N)=O)[C@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C23H43N5O5/c1-8-14(6)19(28-23(33)20(15(7)9-2)27-17(29)10-3)22(32)25-12-18(30)26-16(21(24)31)11-13(4)5/h13-16,19-20H,8-12H2,1-7H3,(H2,24,31)(H,25,32)(H,26,30)(H,27,29)(H,28,33)/t14-,15+,16-,19+,20+/m1/s1
InChIKeyIFVJHDKHIMFSMD-VKSPVCMPSA-N
XLogP0.59
TPSA159.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 50.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 42633396
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 10129417
2-amino-N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-4-methylpentanamide
CID 71336548
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid
CID 18294415
(2S)-2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
CID 101128246
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18479750
(2R)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyl-2-[[(2R)-4-methyl-2-(propanoylamino)pentanoyl]amino]pentanamide
CID 71192185
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
CID 59035378
(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
CID 10191234
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]propanoic acid
CID 22706159
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 71472030
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 175738098

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
The IUPAC name of (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide (CID 129449877) is (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide.
What is the SMILES notation for (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
The canonical SMILES for (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide is CCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CC(C)C)C(N)=O)[C@H](C)CC)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
The InChIKey is IFVJHDKHIMFSMD-VKSPVCMPSA-N. The full InChI is InChI=1S/C23H43N5O5/c1-8-14(6)19(28-23(33)20(15(7)9-2)27-17(29)10-3)22(32)25-12-18(30)26-16(21(24)31)11-13(4)5/h13-16,19-20H,8-12H2,1-7H3,(H2,24,31)(H,25,32)(H,26,30)(H,27,29)(H,28,33)/t14-,15+,16-,19+,20+/m1/s1.
What are the key properties of (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide?
(2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide has a molecular weight of 469.63 g/mol, XLogP of 0.59, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2S,3R)-1-[[2-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide is sourced from PubChem (CID 129449877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).