Nyuzenamide C

ID: ALA5206356

Chembl Id: CHEMBL5206356

PubChem CID: 168296057

Max Phase: Preclinical

Molecular Formula: C66H79N11O19

Molecular Weight: 1330.42

Names and Identifiers

Canonical SMILES:  CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](O)c2ccccc2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)/C=C/c3ccccc3[C@H]3O[C@@H]3C)[C@@H](C)OC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@H](O)NC1=O)[C@@H](O)c1ccc(O)c(c1)Oc1ccc2cc1

Standard InChI:  InChI=1S/C66H79N11O19/c1-31(2)27-41-57(84)76-64(91)63(90)75-52-55(83)38-20-24-44(78)45(28-38)96-39-22-18-36(19-23-39)51(74-60(87)50(33(5)95-66(93)42(29-46(67)79)70-62(52)89)71-47(80)25-21-35-13-10-11-16-40(35)56-34(6)94-56)61(88)73-49(32(3)4)59(86)68-30-48(81)72-53(54(82)37-14-8-7-9-15-37)65(92)77-26-12-17-43(77)58(85)69-41/h7-11,13-16,18-25,28,31-34,41-43,49-56,64,78,82-83,91H,12,17,26-27,29-30H2,1-6H3,(H2,67,79)(H,68,86)(H,69,85)(H,70,89)(H,71,80)(H,72,81)(H,73,88)(H,74,87)(H,75,90)(H,76,84)/b25-21+/t33-,34-,41-,42-,43+,49+,50+,51+,52-,53+,54+,55+,56+,64+/m1/s1

Standard InChI Key:  TYENKFMSQZVWJL-PBAIDHFVSA-N

Alternative Forms

1. Parent:

   

   ALA5206356

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1330.42

Molecular Weight (Monoisotopic): 1329.5554

AlogP: ┄

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HBA: ┄

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HBA (Lipinski): ┄

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

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CX LogD: ┄

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Np Likeness Score: ┄

References

1. An JS, Kim MS, Han J, Jang SC, Im JH, Cui J, Lee Y, Nam SJ, Shin J, Lee SK, Yoon YJ, Oh DC..  (2022)  Nyuzenamide C, an Antiangiogenic Epoxy Cinnamic Acid-Containing Bicyclic Peptide from a Riverine Streptomyces sp.,  85  (4.0): [PMID:35294831] [10.1021/acs.jnatprod.1c00837]

Source

Source(1):

• Scientific Literature