H-Leu-ser-p-nitro-phe-nle-ala-leu-ome tfa

CAS

99764-63-3

Catalog Number

ACM99764633

Category

Other Products

Molecular Weight

835.86

Molecular Formula

C₃₆H₅₆F₃N₇O₁₂

MSDS COA Spec Sheet

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Specification

Synonyms

LSF(NO2)-NLE-AL-METHYL ESTER;H-LEU-SER-PHE(4-NO2)-NLE-ALA-LEU-OME TFA;H-LEU-SER-P-NITRO-PHE-NLE-ALA-LEU-OME TFA;LEU-SER-PHE(NO2)-NLE-ALA-LEU-OME;LEU-SER-P-NITRO-PHE-NLE-ALA-LEU-METHYL ESTER TFA;LEUCINE-SERINE-P-NITRO-PHENYLALANINE-NLE-ALANINE-LEUCINE MET

IUPAC Name

methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoate;2,2,2-trifluoroacetic acid

Canonical SMILES

CCCCC(C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CO)NC(=O)C(CC(C)C)N.C(=O)(C(F)(F)F)O

InChI Key

PEGIZLVJXSOCEX-HAYWJZKBSA-N

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound with PubChem CID 90477968?

The molecular formula is C36H56F3N7O12.

When was the compound with PubChem CID 90477968 created and last modified?

It was created on February 16, 2015, and last modified on December 30, 2023.

What is the IUPAC Name of the compound with PubChem CID 90477968?

The IUPAC Name is methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoate;2,2,2-trifluoroacetic acid.

What is the InChIKey of the compound with PubChem CID 90477968?

The InChIKey is PEGIZLVJXSOCEX-HAYWJZKBSA-N.

How many hydrogen bond donor counts are present in the compound with PubChem CID 90477968?

There are 8 hydrogen bond donor counts.

What is the molecular weight of the compound with PubChem CID 90477968?

The molecular weight is 835.9 g/mol.

How many hydrogen bond acceptor counts are present in the compound with PubChem CID 90477968?

There are 16 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound with PubChem CID 90477968?

The topological polar surface area is 301 Å2.

How many rotatable bond counts are present in the compound with PubChem CID 90477968?

There are 22 rotatable bond counts.

How many defined atom stereocenter counts are present in the compound with PubChem CID 90477968?

There are 6 defined atom stereocenter counts.