Viennamycin B

ID: ALA4741868

Chembl Id: CHEMBL4741868

PubChem CID: 156580803

Max Phase: Preclinical

Molecular Formula: C64H93N13O21

Molecular Weight: 1380.52

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](CC(=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/C64H93N13O21/c1-10-35(6)52(74-58(91)41(28-45(65)78)70-46(79)23-17-12-11-14-19-33(2)3)60(93)73-40(27-38-20-15-13-16-21-38)56(89)71-42(29-50(84)85)57(90)72-43(30-51(86)87)59(92)75-53-37(8)98-64(97)44-22-18-26-77(44)62(95)36(7)68-55(88)39(24-25-49(82)83)69-48(81)32-66-47(80)31-67-61(94)54(34(4)5)76(9)63(53)96/h11-13,15-17,20-21,23,33-37,39-44,52-54H,10,14,18-19,22,24-32H2,1-9H3,(H2,65,78)(H,66,80)(H,67,94)(H,68,88)(H,69,81)(H,70,79)(H,71,89)(H,72,90)(H,73,93)(H,74,91)(H,75,92)(H,82,83)(H,84,85)(H,86,87)/b12-11+,23-17-/t35-,36-,37+,39+,40+,41-,42+,43-,44-,52-,53-,54+/m0/s1

Standard InChI Key:  AGRVSGSOQZGMAV-RKTNKWPKSA-N

Alternative Forms

1. Parent:

   

   ALA4741868

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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: 1380.52

Molecular Weight (Monoisotopic): 1379.6609

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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