[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium

C30H56N5O6+ — CID 118987637

IUPAC[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium
SMILESCO[C@H]1CC(=O)N(C(=O)CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C
InChIInChI=1S/C30H55N5O6/c1-17(2)14-22(32-29(39)23(15-18(3)4)33-30(40)27(19(5)6)34(9)10)28(38)31-20(7)12-13-25(36)35-21(8)24(41-11)16-26(35)37/h17-24,27H,12-16H2,1-11H3,(H,31,38)(H,32,39)(H,33,40)/p+1/t20-,21-,22-,23-,24-,27-/m0/s1
InChIKeyZFIFRMIIWYYKND-IPTDFQASSA-O
MW582.81 g/mol
LogP0.66
Rot. Bonds16

About [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium

[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium (PubChem CID 118987637) has the molecular formula C30H56N5O6+ and a molecular weight of 582.81 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium.

Molecular Properties

Compound Name[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium
PubChem CID118987637
Molecular FormulaC30H56N5O6+
Molecular Weight582.81 g/mol
Exact Mass582.42
IUPAC Name[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium
SMILESCO[C@H]1CC(=O)N(C(=O)CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C
InChIInChI=1S/C30H55N5O6/c1-17(2)14-22(32-29(39)23(15-18(3)4)33-30(40)27(19(5)6)34(9)10)28(38)31-20(7)12-13-25(36)35-21(8)24(41-11)16-26(35)37/h17-24,27H,12-16H2,1-11H3,(H,31,38)(H,32,39)(H,33,40)/p+1/t20-,21-,22-,23-,24-,27-/m0/s1
InChIKeyZFIFRMIIWYYKND-IPTDFQASSA-O
XLogP0.66
TPSA138.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.81
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[[(2S)-1-[[(2S)-1-[[(E,2S)-5-[(2S)-3-methoxy-5-oxo-2-propan-2-yl-2H-pyrrol-1-yl]-5-oxopent-3-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium;2,2,2-trifluoroacetate
CID 118722672
dimethyl-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(E,2S)-5-oxo-5-(5-oxo-3-phenylmethoxy-2H-pyrrol-1-yl)pent-3-en-2-yl]amino]pentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate
CID 118722675
(2S)-2-[3-[(2R,3R)-1-[(2S)-4-carboxy-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]butanoyl]-3-methoxypiperidin-2-yl]propanoylamino]butanedioic acid
CID 155997581
N-[1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
CID 4839279
(2S)-2-[[2-[(3R,4S)-1-[(2S)-6-amino-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]hexanoyl]-4-methoxypiperidin-3-yl]acetyl]amino]pentanedioic acid
CID 155997615
methyl (2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963905
methyl (2R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]propanoate
CID 28963903
methyl (2S,3S)-2-[[(2S)-2-[[(2R)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoate
CID 124775290
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanedioic acid
CID 102001257
5-amino-2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 43358642
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium?
The IUPAC name of [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium (CID 118987637) is [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium.
What is the SMILES notation for [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium?
The canonical SMILES for [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium is CO[C@H]1CC(=O)N(C(=O)CC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C.
What is the InChIKey of [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium?
The InChIKey is ZFIFRMIIWYYKND-IPTDFQASSA-O. The full InChI is InChI=1S/C30H55N5O6/c1-17(2)14-22(32-29(39)23(15-18(3)4)33-30(40)27(19(5)6)34(9)10)28(38)31-20(7)12-13-25(36)35-21(8)24(41-11)16-26(35)37/h17-24,27H,12-16H2,1-11H3,(H,31,38)(H,32,39)(H,33,40)/p+1/t20-,21-,22-,23-,24-,27-/m0/s1.
What are the key properties of [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium?
[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium has a molecular weight of 582.81 g/mol, XLogP of 0.66, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-[(2S,3S)-3-methoxy-2-methyl-5-oxopyrrolidin-1-yl]-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-dimethylazanium is sourced from PubChem (CID 118987637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).