(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide

C32H58N6O5 — CID 66613794

IUPAC(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)C(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C32H58N6O5/c1-19(2)24(33)29(41)34(10)25(20(3)4)30(42)35(11)26(21(5)6)31(43)38-18-14-16-23(38)28(40)37-17-13-15-22(37)27(39)36(12)32(7,8)9/h19-26H,13-18,33H2,1-12H3/t22-,23-,24-,25-,26-/m0/s1
InChIKeyZJMSPJZPOCMGQK-LROMGURASA-N
MW606.85 g/mol
LogP2.17
Rot. Bonds10

About (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide (PubChem CID 66613794) has the molecular formula C32H58N6O5 and a molecular weight of 606.85 g/mol. Its IUPAC name is (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide
PubChem CID66613794
Molecular FormulaC32H58N6O5
Molecular Weight606.85 g/mol
Exact Mass606.45
IUPAC Name(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)C(C)(C)C)C(C)C)C(C)C
InChIInChI=1S/C32H58N6O5/c1-19(2)24(33)29(41)34(10)25(20(3)4)30(42)35(11)26(21(5)6)31(43)38-18-14-16-23(38)28(40)37-17-13-15-22(37)27(39)36(12)32(7,8)9/h19-26H,13-18,33H2,1-12H3/t22-,23-,24-,25-,26-/m0/s1
InChIKeyZJMSPJZPOCMGQK-LROMGURASA-N
XLogP2.17
TPSA127.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.85
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 141107883
2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]-tert-butylamino]acetic acid
CID 67058651
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
(2R)-1-[(2R)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 129360484
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
1-[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167995084
(2R)-1-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-2-[(3S)-3-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-4-methyl-2-oxopentyl]pyrrolidine-2-carboxamide
CID 66995557
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 10410104

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide (CID 66613794) is (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide is CC(C)[C@H](N)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N(C)C(C)(C)C)C(C)C)C(C)C.
What is the InChIKey of (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZJMSPJZPOCMGQK-LROMGURASA-N. The full InChI is InChI=1S/C32H58N6O5/c1-19(2)24(33)29(41)34(10)25(20(3)4)30(42)35(11)26(21(5)6)31(43)38-18-14-16-23(38)28(40)37-17-13-15-22(37)27(39)36(12)32(7,8)9/h19-26H,13-18,33H2,1-12H3/t22-,23-,24-,25-,26-/m0/s1.
What are the key properties of (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide has a molecular weight of 606.85 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-tert-butyl-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66613794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).