(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide

C27H49N7O7 — CID 101104048

IUPAC(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
SMILESCNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(C)=O
InChIInChI=1S/C27H49N7O7/c1-15(22(36)28-8)10-30-24(38)17(3)12-32-26(40)19(5)14-34-27(41)20(6)13-33-25(39)18(4)11-31-23(37)16(2)9-29-21(7)35/h15-20H,9-14H2,1-8H3,(H,28,36)(H,29,35)(H,30,38)(H,31,37)(H,32,40)(H,33,39)(H,34,41)/t15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyRCLJHMFLFZKBRY-RABCQHRBSA-N
MW583.73 g/mol
LogP-1.73
Rot. Bonds18

About (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide

(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide (PubChem CID 101104048) has the molecular formula C27H49N7O7 and a molecular weight of 583.73 g/mol. Its IUPAC name is (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
PubChem CID101104048
Molecular FormulaC27H49N7O7
Molecular Weight583.73 g/mol
Exact Mass583.37
IUPAC Name(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide
SMILESCNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(C)=O
InChIInChI=1S/C27H49N7O7/c1-15(22(36)28-8)10-30-24(38)17(3)12-32-26(40)19(5)14-34-27(41)20(6)13-33-25(39)18(4)11-31-23(37)16(2)9-29-21(7)35/h15-20H,9-14H2,1-8H3,(H,28,36)(H,29,35)(H,30,38)(H,31,37)(H,32,40)(H,33,39)(H,34,41)/t15-,16-,17-,18-,19-,20-/m0/s1
InChIKeyRCLJHMFLFZKBRY-RABCQHRBSA-N
XLogP-1.73
TPSA203.70 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 5-1.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide?
The IUPAC name of (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide (CID 101104048) is (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide.
What is the SMILES notation for (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide?
The canonical SMILES for (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide is CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(C)=O.
What is the InChIKey of (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide?
The InChIKey is RCLJHMFLFZKBRY-RABCQHRBSA-N. The full InChI is InChI=1S/C27H49N7O7/c1-15(22(36)28-8)10-30-24(38)17(3)12-32-26(40)19(5)14-34-27(41)20(6)13-33-25(39)18(4)11-31-23(37)16(2)9-29-21(7)35/h15-20H,9-14H2,1-8H3,(H,28,36)(H,29,35)(H,30,38)(H,31,37)(H,32,40)(H,33,39)(H,34,41)/t15-,16-,17-,18-,19-,20-/m0/s1.
What are the key properties of (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide?
(2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide has a molecular weight of 583.73 g/mol, XLogP of -1.73, 18 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetamido-2-methyl-N-[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-[[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]propanamide is sourced from PubChem (CID 101104048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).