(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid

C26H32N2O5 — CID 165499514

IUPAC(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid
SMILESCC[C@H](CC(=O)O)NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C
InChIInChI=1S/C26H32N2O5/c1-4-17(13-25(30)31)27-24(29)14-23(16(2)3)28-26(32)33-15-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,16-17,22-23H,4,13-15H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)/t17-,23+/m1/s1
InChIKeyVPBIJCOSSGBABH-HXOBKFHXSA-N
MW452.55 g/mol
LogP4.31
Rot. Bonds10

About (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid

(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid (PubChem CID 165499514) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid
PubChem CID165499514
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid
SMILESCC[C@H](CC(=O)O)NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C
InChIInChI=1S/C26H32N2O5/c1-4-17(13-25(30)31)27-24(29)14-23(16(2)3)28-26(32)33-15-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,16-17,22-23H,4,13-15H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)/t17-,23+/m1/s1
InChIKeyVPBIJCOSSGBABH-HXOBKFHXSA-N
XLogP4.31
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid with MolForge

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Related Compounds

(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286
(4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylhexanoic acid
CID 17040097
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]-4-methylpentanoic acid
CID 165456603
3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]-4,4-difluorobutanoic acid
CID 165480222
9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 135015195
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 178193645
2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412620
2-[[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412621
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
(3S,5S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylheptanoic acid
CID 170895498
(3R)-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]pentanoic acid
CID 178196476
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethylhexanoic acid
CID 163358524

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid?
The IUPAC name of (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid (CID 165499514) is (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid.
What is the SMILES notation for (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid?
The canonical SMILES for (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid is CC[C@H](CC(=O)O)NC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C.
What is the InChIKey of (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid?
The InChIKey is VPBIJCOSSGBABH-HXOBKFHXSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-4-17(13-25(30)31)27-24(29)14-23(16(2)3)28-26(32)33-15-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,16-17,22-23H,4,13-15H2,1-3H3,(H,27,29)(H,28,32)(H,30,31)/t17-,23+/m1/s1.
What are the key properties of (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid?
(3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid has a molecular weight of 452.55 g/mol, XLogP of 4.31, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]pentanoic acid is sourced from PubChem (CID 165499514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).