NA

ID: ALA3577607

PubChem CID: 122177890

Max Phase: Preclinical

Molecular Formula: C82H173N25O25S8

Molecular Weight: 2165.97

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(N)=O)S(=O)(=O)CCN)S(=O)(=O)CCN)S(=O)(=O)CCN)S(=O)(=O)CCN)S(=O)(=O)CCN)S(=O)(=O)CCN)S(=O)(=O)CCN)S(=O)(=O)CCN

Standard InChI:  InChI=1S/C82H173N25O25S8/c1-58(2)34-67(92-66(17)108)42-101(134(119,120)27-19-84)51-76(110)94-69(36-60(5)6)44-103(136(123,124)29-21-86)53-78(112)96-71(38-62(9)10)46-105(138(127,128)31-23-88)55-80(114)98-73(40-64(13)14)48-107(140(131,132)33-25-90)57-82(116)99-74(41-65(15)16)49-106(139(129,130)32-24-89)56-81(115)97-72(39-63(11)12)47-104(137(125,126)30-22-87)54-79(113)95-70(37-61(7)8)45-102(135(121,122)28-20-85)52-77(111)93-68(35-59(3)4)43-100(50-75(91)109)133(117,118)26-18-83/h58-65,67-74H,18-57,83-90H2,1-17H3,(H2,91,109)(H,92,108)(H,93,111)(H,94,110)(H,95,113)(H,96,112)(H,97,115)(H,98,114)(H,99,116)/t67-,68-,69-,70-,71-,72-,73-,74-/m0/s1

Standard InChI Key:  QYSGZIUEMYVPAY-CGOQMMCRSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3577607

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 2165.97

Molecular Weight (Monoisotopic): 2164.0800

AlogP: ┄

#Rotatable Bonds: ┄

Polar Surface Area: ┄

Molecular Species: ┄

HBA: ┄

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): ┄

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: ┄

CX LogD: ┄

Aromatic Rings: ┄

Heavy Atoms: ┄

QED Weighted: ┄

Np Likeness Score: ┄

References

1. Li Y, Wu H, Teng P, Bai G, Lin X, Zuo X, Cao C, Cai J..  (2015)  Helical Antimicrobial Sulfono-γ-AApeptides.,  58  (11): [PMID:26020456] [10.1021/acs.jmedchem.5b00537]

Source

Source(1):

• Scientific Literature