Viennamycin A

ID: ALA4794397

Chembl Id: CHEMBL4794397

PubChem CID: 156580802

Max Phase: Preclinical

Molecular Formula: C63H93N13O22S

Molecular Weight: 1416.57

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C\C=C\CCC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O[C@@H]1C

Standard InChI:  InChI=1S/C63H93N13O22S/c1-10-35(6)51(73-56(87)41(28-45(64)77)69-46(78)23-17-12-11-14-19-33(2)3)59(90)71-40(27-38-20-15-13-16-21-38)55(86)72-43(32-99(95,96)97)58(89)70-42(29-50(83)84)57(88)74-52-37(8)98-63(94)44-22-18-26-76(44)61(92)36(7)67-54(85)39(24-25-49(81)82)68-48(80)31-65-47(79)30-66-60(91)53(34(4)5)75(9)62(52)93/h11-13,15-17,20-21,23,33-37,39-44,51-53H,10,14,18-19,22,24-32H2,1-9H3,(H2,64,77)(H,65,79)(H,66,91)(H,67,85)(H,68,80)(H,69,78)(H,70,89)(H,71,90)(H,72,86)(H,73,87)(H,74,88)(H,81,82)(H,83,84)(H,95,96,97)/b12-11+,23-17-/t35-,36-,37+,39+,40+,41-,42-,43+,44-,51-,52-,53+/m0/s1

Standard InChI Key:  UUCSPZUVNMNEEZ-NUTRYBNQSA-N

Alternative Forms

1. Parent:

   

   ALA4794397

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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: 1416.57

Molecular Weight (Monoisotopic): 1415.6279

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References

1. Bekiesch P,Zehl M,Domingo-Contreras E,Martín J,Pérez-Victoria I,Reyes F,Kaplan A,Rückert C,Busche T,Kalinowski J,Zotchev SB.  (2020)  Viennamycins: Lipopeptides Produced by a Streptomyces sp.,  83  (8.0): [PMID:32786880] [10.1021/acs.jnatprod.0c00152]

Source

Source(1):

• Scientific Literature