(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid

C23H38N6O6 — CID 10819296

IUPAC(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
SMILESNCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C23H38N6O6/c24-12-4-9-17(20(30)28-19(22(32)33)11-6-14-26)27-21(31)18(10-5-13-25)29-23(34)35-15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15,24-26H2,(H,27,31)(H,28,30)(H,29,34)(H,32,33)/t17-,18-,19-/m0/s1
InChIKeyRUOXGHQECKSFFH-FHWLQOOXSA-N
MW494.59 g/mol
LogP-0.45
Rot. Bonds17

About (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid

(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid (PubChem CID 10819296) has the molecular formula C23H38N6O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
PubChem CID10819296
Molecular FormulaC23H38N6O6
Molecular Weight494.59 g/mol
Exact Mass494.29
IUPAC Name(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
SMILESNCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C23H38N6O6/c24-12-4-9-17(20(30)28-19(22(32)33)11-6-14-26)27-21(31)18(10-5-13-25)29-23(34)35-15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15,24-26H2,(H,27,31)(H,28,30)(H,29,34)(H,32,33)/t17-,18-,19-/m0/s1
InChIKeyRUOXGHQECKSFFH-FHWLQOOXSA-N
XLogP-0.45
TPSA211.89 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 5-0.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 23652148
5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18466026
5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
CID 7408212
benzyl N-[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]carbamate;hydrochloride
CID 18636016
(2S)-4-methylsulfanyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 26793384
(2S)-2-[[(3S)-3-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxobutanoyl]amino]-4-methylpentanoic acid
CID 11801596
benzyl N-[1-[[1-(2-aminoethylamino)-6-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-1-oxohexan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate
CID 141217073
benzyl N-[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamate
CID 7020264
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 102508549
(2S)-4-aminooxy-2-(phenylmethoxycarbonylamino)butanoic acid
CID 165477509
(2S)-1-[(4R)-4-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-carboxybutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 15631137

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid (CID 10819296) is (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid is NCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCN)NC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid?
The InChIKey is RUOXGHQECKSFFH-FHWLQOOXSA-N. The full InChI is InChI=1S/C23H38N6O6/c24-12-4-9-17(20(30)28-19(22(32)33)11-6-14-26)27-21(31)18(10-5-13-25)29-23(34)35-15-16-7-2-1-3-8-16/h1-3,7-8,17-19H,4-6,9-15,24-26H2,(H,27,31)(H,28,30)(H,29,34)(H,32,33)/t17-,18-,19-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid?
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid has a molecular weight of 494.59 g/mol, XLogP of -0.45, 17 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 10819296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).